REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3a6z_1_C DATA FIRST_RESID 2 DATA SEQUENCE GVYDYKNFGT ADSKALFSDA MAITLYSYHN LDNGFAAGYQ HNGFGLGLPA DATA SEQUENCE TLVTALLGGT DSQGVIPGIP WNPDSEKLAL DAVKKAGWTP ITASQLGYDG DATA SEQUENCE KTDARGTFFG EKAGYTTAQV EILGKYDAQG HLTEIGIAFR GTSGPRENLI DATA SEQUENCE LDSIGDVIND LLAAFGPKDY AKNYVGEAFG NLLNDVVAFA KANGLSGKDV DATA SEQUENCE LVSGHSLGGL AVNSMADLSG GKWGGFFADS NYIAYASPTQ SSTDKVLNVG DATA SEQUENCE YENDPVFRAL DGSTFTGASV GVHDAPKESA TDNIVSFNDH YASTAWNLLP DATA SEQUENCE FSILNIPTWI SHLPTAYGDG MNRIIESKFY DLTSKDSTII VANLSDPARA DATA SEQUENCE NTWVQDLNRN AETHKGSTFI IGSDSNDLIQ GGSGNDYLEG RAGNDTFRDG DATA SEQUENCE GGYNVILGGA GNNTLDLQKS VNTFDFANDG AGNLYVRDAN GGISITRDIG DATA SEQUENCE SIVTKEPGFL WGLFKDDVTH SVTASGLKVG SNVTQYDASV KGTNGADTLK DATA SEQUENCE AHAGGDWLFG LDGNDHLIGG VGNDVFVGGA GNDLMESGGG ADTFLFNGAF DATA SEQUENCE GQDRVVGFTS NDKLVFLGVQ GVLPNDDFRA HASMVGQDTV LKFGGDSVTL DATA SEQUENCE VGVALNSLSA DGIVIA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.966 3.960 0.009 0.000 0.244 2 G C 0.000 174.632 174.900 -0.447 0.000 0.946 2 G CA 0.000 44.761 45.100 -0.566 0.000 0.502 3 V N 0.596 120.063 119.914 -0.746 0.000 2.453 3 V HA -0.108 4.017 4.120 0.009 0.000 0.252 3 V C 1.417 177.318 176.094 -0.321 0.000 1.068 3 V CA 1.837 63.792 62.300 -0.575 0.000 1.070 3 V CB -0.593 30.746 31.823 -0.806 0.000 0.664 3 V HN 0.651 nan 8.190 nan 0.000 0.461 4 Y N 0.054 120.375 120.300 0.036 0.000 2.658 4 Y HA 0.422 4.977 4.550 0.009 0.000 0.276 4 Y C 0.528 176.562 175.900 0.223 0.000 1.167 4 Y CA -1.807 56.368 58.100 0.124 0.000 1.230 4 Y CB -0.695 37.743 38.460 -0.038 0.000 1.144 4 Y HN 0.237 nan 8.280 nan 0.000 0.529 5 D N 0.859 121.426 120.400 0.278 0.000 2.533 5 D HA -0.103 4.543 4.640 0.009 0.000 0.236 5 D C -0.699 175.809 176.300 0.347 0.000 1.137 5 D CA 0.934 55.099 54.000 0.274 0.000 0.867 5 D CB 0.472 41.360 40.800 0.147 0.000 1.170 5 D HN 0.269 nan 8.370 nan 0.000 0.474 6 Y N 2.287 122.740 120.300 0.256 0.000 2.373 6 Y HA 0.218 4.774 4.550 0.009 0.000 0.336 6 Y C 0.701 176.718 175.900 0.195 0.000 0.979 6 Y CA -0.681 57.579 58.100 0.268 0.000 1.080 6 Y CB 0.841 39.517 38.460 0.360 0.000 1.190 6 Y HN 0.461 nan 8.280 nan 0.000 0.446 7 K N 1.968 122.066 120.400 -0.503 0.000 1.779 7 K HA -0.359 3.966 4.320 0.009 0.000 0.128 7 K C -0.135 176.254 176.600 -0.352 0.000 1.288 7 K CA 2.052 58.008 56.287 -0.551 0.000 0.398 7 K CB -0.956 31.072 32.500 -0.786 0.000 0.609 7 K HN 0.979 nan 8.250 nan 0.000 0.874 8 N N 0.501 118.901 118.700 -0.501 0.000 2.401 8 N HA 0.187 4.932 4.740 0.009 0.000 0.264 8 N C 0.382 175.752 175.510 -0.234 0.000 1.238 8 N CA -0.259 52.612 53.050 -0.299 0.000 0.889 8 N CB 0.267 38.612 38.487 -0.237 0.000 1.196 8 N HN 0.129 nan 8.380 nan 0.000 0.511 9 F N 1.980 121.961 119.950 0.053 0.000 2.407 9 F HA 0.186 4.719 4.527 0.009 0.000 0.299 9 F C 1.891 177.735 175.800 0.074 0.000 1.097 9 F CA 0.909 58.957 58.000 0.080 0.000 1.422 9 F CB -0.486 38.596 39.000 0.136 0.000 1.067 9 F HN 0.299 nan 8.300 nan 0.000 0.539 10 G N -0.127 108.802 108.800 0.215 0.000 2.796 10 G HA2 -0.259 3.707 3.960 0.009 0.000 0.571 10 G HA3 -0.259 3.707 3.960 0.009 0.000 0.571 10 G C 0.674 175.688 174.900 0.189 0.000 1.370 10 G CA -0.280 44.915 45.100 0.157 0.000 0.856 10 G HN 0.117 nan 8.290 nan 0.000 0.538 11 T N 0.844 115.492 114.554 0.156 0.000 2.580 11 T HA -0.017 4.339 4.350 0.009 0.000 0.265 11 T C 2.929 177.725 174.700 0.161 0.000 1.063 11 T CA 3.639 65.853 62.100 0.191 0.000 1.170 11 T CB -0.757 68.218 68.868 0.177 0.000 0.863 11 T HN 1.727 nan 8.240 nan 0.000 0.418 12 A N 2.073 124.957 122.820 0.105 0.000 1.873 12 A HA -0.136 4.190 4.320 0.009 0.000 0.215 12 A C 2.120 179.737 177.584 0.055 0.000 1.186 12 A CA 1.794 53.863 52.037 0.052 0.000 0.616 12 A CB -0.712 18.312 19.000 0.040 0.000 0.823 12 A HN 0.432 nan 8.150 nan 0.000 0.442 13 D N 0.117 120.573 120.400 0.093 0.000 2.178 13 D HA -0.060 4.586 4.640 0.009 0.000 0.202 13 D C 2.175 178.520 176.300 0.074 0.000 0.974 13 D CA 1.448 55.489 54.000 0.069 0.000 0.841 13 D CB -0.379 40.482 40.800 0.102 0.000 0.953 13 D HN 0.407 nan 8.370 nan 0.000 0.478 14 S N 0.721 116.538 115.700 0.195 0.000 2.402 14 S HA -0.085 4.391 4.470 0.009 0.000 0.229 14 S C 1.790 176.504 174.600 0.190 0.000 1.021 14 S CA 0.682 59.034 58.200 0.253 0.000 0.974 14 S CB 0.079 63.512 63.200 0.388 0.000 0.800 14 S HN 0.262 nan 8.310 nan 0.000 0.484 15 K N 1.762 122.225 120.400 0.105 0.000 2.009 15 K HA -0.040 4.286 4.320 0.009 0.000 0.210 15 K C 2.461 179.095 176.600 0.057 0.000 1.049 15 K CA 1.357 57.645 56.287 0.001 0.000 0.929 15 K CB -0.411 31.981 32.500 -0.180 0.000 0.714 15 K HN 0.338 nan 8.250 nan 0.000 0.440 16 A N 1.161 123.996 122.820 0.024 0.000 1.972 16 A HA -0.161 4.165 4.320 0.009 0.000 0.219 16 A C 2.092 179.693 177.584 0.027 0.000 1.169 16 A CA 1.167 53.214 52.037 0.018 0.000 0.635 16 A CB -0.526 18.463 19.000 -0.018 0.000 0.810 16 A HN 0.247 nan 8.150 nan 0.000 0.446 17 L N -1.497 119.727 121.223 0.002 0.000 1.989 17 L HA -0.126 4.220 4.340 0.009 0.000 0.211 17 L C 2.259 179.144 176.870 0.024 0.000 1.071 17 L CA 2.418 57.232 54.840 -0.044 0.000 0.749 17 L CB -0.675 41.299 42.059 -0.142 0.000 0.890 17 L HN 0.466 nan 8.230 nan 0.000 0.431 18 F N -0.362 119.543 119.950 -0.074 0.000 2.095 18 F HA -0.292 4.241 4.527 0.009 0.000 0.298 18 F C 2.507 178.283 175.800 -0.040 0.000 1.104 18 F CA 2.024 59.976 58.000 -0.079 0.000 1.232 18 F CB -0.346 38.590 39.000 -0.107 0.000 0.987 18 F HN 0.106 nan 8.300 nan 0.000 0.475 19 S N 0.134 115.997 115.700 0.271 0.000 2.383 19 S HA -0.225 4.250 4.470 0.009 0.000 0.229 19 S C 1.579 176.200 174.600 0.036 0.000 1.030 19 S CA 1.430 59.714 58.200 0.140 0.000 1.002 19 S CB -0.502 62.775 63.200 0.129 0.000 0.829 19 S HN 0.472 nan 8.310 nan 0.000 0.467 20 D N 1.652 122.092 120.400 0.067 0.000 2.084 20 D HA -0.025 4.621 4.640 0.009 0.000 0.194 20 D C 2.241 178.501 176.300 -0.066 0.000 0.990 20 D CA 1.311 55.392 54.000 0.134 0.000 0.826 20 D CB -0.543 40.424 40.800 0.280 0.000 0.971 20 D HN 0.358 nan 8.370 nan 0.000 0.453 21 A N 0.671 123.403 122.820 -0.148 0.000 1.917 21 A HA -0.237 4.089 4.320 0.009 0.000 0.219 21 A C 2.169 179.639 177.584 -0.190 0.000 1.182 21 A CA 2.225 54.140 52.037 -0.204 0.000 0.633 21 A CB -0.571 18.285 19.000 -0.240 0.000 0.819 21 A HN 0.221 nan 8.150 nan 0.000 0.448 22 M N -0.142 119.272 119.600 -0.310 0.000 2.156 22 M HA 0.087 4.573 4.480 0.009 0.000 0.264 22 M C 2.163 178.300 176.300 -0.271 0.000 1.067 22 M CA 1.596 56.626 55.300 -0.450 0.000 1.131 22 M CB -0.612 31.674 32.600 -0.523 0.000 1.368 22 M HN 0.367 nan 8.290 nan 0.000 0.416 23 A N 0.627 123.347 122.820 -0.168 0.000 1.908 23 A HA -0.151 4.174 4.320 0.009 0.000 0.218 23 A C 2.163 179.651 177.584 -0.161 0.000 1.181 23 A CA 2.097 54.071 52.037 -0.105 0.000 0.627 23 A CB -1.394 17.611 19.000 0.009 0.000 0.818 23 A HN 0.787 nan 8.150 nan 0.000 0.445 24 I N -3.668 116.733 120.570 -0.281 0.000 2.500 24 I HA -0.072 4.104 4.170 0.009 0.000 0.252 24 I C 2.065 178.032 176.117 -0.250 0.000 1.142 24 I CA 1.867 62.959 61.300 -0.347 0.000 1.451 24 I CB -0.951 36.654 38.000 -0.657 0.000 1.093 24 I HN 0.094 nan 8.210 nan 0.000 0.430 25 T N 2.527 116.936 114.554 -0.242 0.000 2.684 25 T HA -0.080 4.275 4.350 0.009 0.000 0.267 25 T C 2.013 176.586 174.700 -0.212 0.000 1.036 25 T CA 1.964 63.929 62.100 -0.225 0.000 1.148 25 T CB -0.420 68.326 68.868 -0.203 0.000 0.863 25 T HN 0.328 nan 8.240 nan 0.000 0.436 26 L N -0.328 120.795 121.223 -0.167 0.000 2.012 26 L HA -0.129 4.217 4.340 0.009 0.000 0.210 26 L C 2.404 179.214 176.870 -0.100 0.000 1.073 26 L CA 1.648 56.435 54.840 -0.087 0.000 0.748 26 L CB -0.673 41.337 42.059 -0.082 0.000 0.891 26 L HN 0.273 nan 8.230 nan 0.000 0.431 27 Y N 1.431 121.579 120.300 -0.254 0.000 2.151 27 Y HA -0.354 4.202 4.550 0.009 0.000 0.284 27 Y C 2.966 178.522 175.900 -0.573 0.000 1.166 27 Y CA 1.598 59.477 58.100 -0.367 0.000 1.163 27 Y CB -0.537 37.730 38.460 -0.322 0.000 0.974 27 Y HN 0.305 nan 8.280 nan 0.000 0.511 28 S N -1.220 114.136 115.700 -0.573 0.000 2.419 28 S HA -0.252 4.224 4.470 0.009 0.000 0.235 28 S C 1.644 175.980 174.600 -0.441 0.000 1.019 28 S CA 1.433 59.285 58.200 -0.580 0.000 0.982 28 S CB -1.101 61.829 63.200 -0.451 0.000 0.789 28 S HN 0.526 nan 8.310 nan 0.000 0.490 29 Y N 1.523 121.649 120.300 -0.289 0.000 2.523 29 Y HA 0.219 4.775 4.550 0.010 0.000 0.279 29 Y C 0.944 176.801 175.900 -0.072 0.000 1.139 29 Y CA -0.114 57.903 58.100 -0.139 0.000 1.296 29 Y CB -0.615 37.751 38.460 -0.157 0.000 1.045 29 Y HN 0.411 nan 8.280 nan 0.000 0.538 30 H N -0.009 118.993 119.070 -0.114 0.000 2.690 30 H HA -0.248 4.314 4.556 0.009 0.000 0.309 30 H C 0.189 175.505 175.328 -0.020 0.000 1.138 30 H CA 0.751 56.730 56.048 -0.116 0.000 1.142 30 H CB -1.587 28.080 29.762 -0.157 0.000 1.410 30 H HN 0.404 nan 8.280 nan 0.000 0.409 31 N N -1.138 117.594 118.700 0.052 0.000 2.776 31 N HA -0.194 4.552 4.740 0.009 0.000 0.250 31 N C 1.307 176.838 175.510 0.036 0.000 1.112 31 N CA 0.885 53.958 53.050 0.038 0.000 0.733 31 N CB -1.138 37.377 38.487 0.047 0.000 1.097 31 N HN 0.424 nan 8.380 nan 0.000 0.558 32 L N 1.555 122.800 121.223 0.037 0.000 2.079 32 L HA -0.136 4.210 4.340 0.009 0.000 0.210 32 L C 1.927 178.790 176.870 -0.012 0.000 1.081 32 L CA 2.544 57.394 54.840 0.016 0.000 0.752 32 L CB -0.191 41.882 42.059 0.025 0.000 0.896 32 L HN 0.315 nan 8.230 nan 0.000 0.433 33 D N -2.033 118.329 120.400 -0.064 0.000 2.328 33 D HA -0.139 4.506 4.640 0.009 0.000 0.221 33 D C 1.490 177.833 176.300 0.072 0.000 1.072 33 D CA 0.181 54.166 54.000 -0.025 0.000 0.850 33 D CB -0.995 39.715 40.800 -0.151 0.000 0.922 33 D HN 0.549 nan 8.370 nan 0.000 0.516 34 N N 0.948 119.682 118.700 0.057 0.000 2.069 34 N HA -0.164 4.582 4.740 0.009 0.000 0.191 34 N C 1.934 177.509 175.510 0.108 0.000 1.031 34 N CA 1.735 54.831 53.050 0.076 0.000 0.852 34 N CB -0.277 38.244 38.487 0.056 0.000 1.018 34 N HN 0.291 nan 8.380 nan 0.000 0.423 35 G N 0.119 108.986 108.800 0.111 0.000 2.418 35 G HA2 -0.254 3.712 3.960 0.009 0.000 0.217 35 G HA3 -0.254 3.712 3.960 0.009 0.000 0.217 35 G C 1.328 176.323 174.900 0.157 0.000 1.158 35 G CA 0.370 45.541 45.100 0.118 0.000 0.771 35 G HN 0.392 nan 8.290 nan 0.000 0.545 36 F N 2.267 122.258 119.950 0.070 0.000 2.069 36 F HA 0.002 4.534 4.527 0.008 0.000 0.298 36 F C 2.911 178.792 175.800 0.134 0.000 1.113 36 F CA 1.678 59.737 58.000 0.099 0.000 1.214 36 F CB -0.330 38.707 39.000 0.061 0.000 0.978 36 F HN 0.241 nan 8.300 nan 0.000 0.474 37 A N 0.515 123.545 122.820 0.349 0.000 1.869 37 A HA -0.257 4.069 4.320 0.009 0.000 0.218 37 A C 2.394 180.083 177.584 0.175 0.000 1.203 37 A CA 2.577 54.772 52.037 0.263 0.000 0.638 37 A CB -1.742 17.370 19.000 0.186 0.000 0.831 37 A HN 0.565 nan 8.150 nan 0.000 0.450 38 A N -0.870 122.024 122.820 0.123 0.000 1.902 38 A HA 0.129 4.455 4.320 0.009 0.000 0.217 38 A C 2.472 180.097 177.584 0.067 0.000 1.181 38 A CA 2.055 54.146 52.037 0.090 0.000 0.623 38 A CB -1.482 17.562 19.000 0.073 0.000 0.818 38 A HN 0.852 nan 8.150 nan 0.000 0.443 39 G N -1.485 107.332 108.800 0.029 0.000 2.446 39 G HA2 -0.309 3.657 3.960 0.009 0.000 0.217 39 G HA3 -0.309 3.657 3.960 0.009 0.000 0.217 39 G C 1.567 176.451 174.900 -0.026 0.000 1.168 39 G CA 1.339 46.435 45.100 -0.008 0.000 0.771 39 G HN 0.623 nan 8.290 nan 0.000 0.551 40 Y N 1.057 121.187 120.300 -0.283 0.000 2.165 40 Y HA -0.189 4.366 4.550 0.008 0.000 0.286 40 Y C 2.977 178.855 175.900 -0.037 0.000 1.155 40 Y CA 2.340 60.311 58.100 -0.215 0.000 1.164 40 Y CB -0.328 37.949 38.460 -0.305 0.000 0.978 40 Y HN 0.263 nan 8.280 nan 0.000 0.513 41 Q N -0.498 119.292 119.800 -0.017 0.000 2.061 41 Q HA -0.237 4.109 4.340 0.009 0.000 0.204 41 Q C 2.188 178.136 176.000 -0.088 0.000 0.984 41 Q CA 2.368 58.122 55.803 -0.082 0.000 0.846 41 Q CB -0.624 28.149 28.738 0.057 0.000 0.902 41 Q HN 0.735 nan 8.270 nan 0.000 0.421 42 H N -0.950 118.064 119.070 -0.094 0.000 2.333 42 H HA 0.069 4.632 4.556 0.011 0.000 0.302 42 H C 1.096 176.373 175.328 -0.086 0.000 1.075 42 H CA 2.098 58.102 56.048 -0.072 0.000 1.348 42 H CB 0.102 29.844 29.762 -0.035 0.000 1.393 42 H HN 0.389 nan 8.280 nan 0.000 0.509 43 N N -0.614 118.039 118.700 -0.079 0.000 2.388 43 N HA 0.202 4.948 4.740 0.009 0.000 0.176 43 N C 0.616 176.074 175.510 -0.086 0.000 1.062 43 N CA 0.383 53.380 53.050 -0.088 0.000 0.895 43 N CB 1.066 39.564 38.487 0.019 0.000 1.018 43 N HN 0.519 nan 8.380 nan 0.000 0.456 44 G N 0.948 109.652 108.800 -0.159 0.000 2.598 44 G HA2 -0.314 3.651 3.960 0.009 0.000 0.244 44 G HA3 -0.314 3.651 3.960 0.009 0.000 0.244 44 G C -0.388 174.690 174.900 0.296 0.000 1.302 44 G CA -0.040 45.009 45.100 -0.086 0.000 0.903 44 G HN 0.249 nan 8.290 nan 0.000 0.575 45 F N 1.856 121.943 119.950 0.228 0.000 2.859 45 F HA 0.524 5.055 4.527 0.007 0.000 0.324 45 F C 1.404 177.512 175.800 0.514 0.000 1.158 45 F CA 0.990 59.222 58.000 0.387 0.000 1.147 45 F CB 0.397 39.665 39.000 0.447 0.000 1.137 45 F HN 0.821 nan 8.300 nan 0.000 0.516 46 G N -0.091 108.927 108.800 0.364 0.000 2.930 46 G HA2 0.116 4.082 3.960 0.009 0.000 0.209 46 G HA3 0.116 4.082 3.960 0.009 0.000 0.209 46 G C 0.800 175.754 174.900 0.090 0.000 2.018 46 G CA 0.061 45.297 45.100 0.227 0.000 0.751 46 G HN 0.015 nan 8.290 nan 0.000 0.770 47 L N 1.710 122.959 121.223 0.044 0.000 2.081 47 L HA 0.044 4.390 4.340 0.009 0.000 0.212 47 L C 2.768 179.654 176.870 0.026 0.000 1.080 47 L CA 2.184 57.034 54.840 0.016 0.000 0.754 47 L CB -0.840 41.221 42.059 0.003 0.000 0.893 47 L HN 0.410 nan 8.230 nan 0.000 0.433 48 G N -1.944 106.881 108.800 0.042 0.000 2.920 48 G HA2 -0.121 3.845 3.960 0.009 0.000 0.208 48 G HA3 -0.121 3.845 3.960 0.009 0.000 0.208 48 G C 1.504 176.438 174.900 0.057 0.000 1.159 48 G CA 0.364 45.487 45.100 0.039 0.000 0.784 48 G HN 0.338 nan 8.290 nan 0.000 0.535 49 L N 1.608 122.869 121.223 0.064 0.000 2.013 49 L HA 0.013 4.358 4.340 0.009 0.000 0.212 49 L C 0.086 176.980 176.870 0.040 0.000 1.073 49 L CA 2.061 56.921 54.840 0.034 0.000 0.753 49 L CB -0.991 41.042 42.059 -0.042 0.000 0.890 49 L HN 0.047 nan 8.230 nan 0.000 0.432 50 P HA -0.204 nan 4.420 nan 0.000 0.214 50 P C 1.620 178.951 177.300 0.051 0.000 1.163 50 P CA 2.291 65.418 63.100 0.045 0.000 0.889 50 P CB -0.262 31.459 31.700 0.035 0.000 0.790 51 A N -1.171 121.678 122.820 0.049 0.000 1.908 51 A HA -0.206 4.119 4.320 0.009 0.000 0.218 51 A C 2.302 179.916 177.584 0.051 0.000 1.181 51 A CA 2.485 54.555 52.037 0.055 0.000 0.627 51 A CB -1.941 17.096 19.000 0.062 0.000 0.818 51 A HN 0.157 nan 8.150 nan 0.000 0.445 52 T N 0.621 115.196 114.554 0.035 0.000 2.684 52 T HA -0.141 4.214 4.350 0.009 0.000 0.267 52 T C 1.754 176.447 174.700 -0.013 0.000 1.036 52 T CA 1.664 63.746 62.100 -0.029 0.000 1.148 52 T CB -0.439 68.406 68.868 -0.038 0.000 0.863 52 T HN 0.411 nan 8.240 nan 0.000 0.436 53 L N 0.597 121.866 121.223 0.076 0.000 2.141 53 L HA -0.052 4.294 4.340 0.009 0.000 0.209 53 L C 2.613 179.551 176.870 0.114 0.000 1.094 53 L CA 0.614 55.540 54.840 0.143 0.000 0.763 53 L CB -0.704 41.438 42.059 0.139 0.000 0.908 53 L HN 0.148 nan 8.230 nan 0.000 0.437 54 V N -0.230 119.735 119.914 0.086 0.000 2.295 54 V HA -0.274 3.852 4.120 0.009 0.000 0.246 54 V C 2.561 178.712 176.094 0.095 0.000 1.049 54 V CA 2.435 64.786 62.300 0.086 0.000 1.024 54 V CB -0.649 31.219 31.823 0.076 0.000 0.648 54 V HN 0.484 nan 8.190 nan 0.000 0.447 55 T N 0.290 114.894 114.554 0.084 0.000 2.821 55 T HA -0.097 4.258 4.350 0.009 0.000 0.267 55 T C 2.059 176.822 174.700 0.105 0.000 1.046 55 T CA 1.322 63.474 62.100 0.086 0.000 1.139 55 T CB -0.438 68.466 68.868 0.060 0.000 0.871 55 T HN 0.552 nan 8.240 nan 0.000 0.454 56 A N 1.012 123.912 122.820 0.134 0.000 1.986 56 A HA -0.038 4.288 4.320 0.009 0.000 0.220 56 A C 2.187 179.858 177.584 0.145 0.000 1.171 56 A CA 1.357 53.521 52.037 0.211 0.000 0.640 56 A CB -0.680 18.539 19.000 0.366 0.000 0.811 56 A HN 0.497 nan 8.150 nan 0.000 0.451 57 L N -2.112 119.180 121.223 0.114 0.000 2.316 57 L HA 0.194 4.539 4.340 0.009 0.000 0.207 57 L C 1.949 178.855 176.870 0.059 0.000 1.070 57 L CA 0.469 55.357 54.840 0.081 0.000 0.820 57 L CB 0.023 42.127 42.059 0.074 0.000 0.992 57 L HN 0.271 nan 8.230 nan 0.000 0.466 58 L N -1.417 119.850 121.223 0.074 0.000 2.817 58 L HA 0.350 4.695 4.340 0.009 0.000 0.248 58 L C 1.344 178.257 176.870 0.070 0.000 1.133 58 L CA 0.205 55.085 54.840 0.066 0.000 0.935 58 L CB 0.270 42.408 42.059 0.132 0.000 1.266 58 L HN 0.356 nan 8.230 nan 0.000 0.535 59 G N 0.681 109.531 108.800 0.084 0.000 2.614 59 G HA2 -0.154 3.812 3.960 0.009 0.000 0.303 59 G HA3 -0.154 3.812 3.960 0.009 0.000 0.303 59 G C 0.284 175.279 174.900 0.158 0.000 1.270 59 G CA -0.005 45.151 45.100 0.094 0.000 0.988 59 G HN 0.605 nan 8.290 nan 0.000 0.551 60 G N -3.885 105.027 108.800 0.187 0.000 2.588 60 G HA2 0.662 4.628 3.960 0.009 0.000 0.281 60 G HA3 0.662 4.628 3.960 0.009 0.000 0.281 60 G C 0.848 175.934 174.900 0.309 0.000 1.223 60 G CA 1.097 46.353 45.100 0.260 0.000 0.871 60 G HN 1.920 nan 8.290 nan 0.000 0.492 61 T N -2.045 112.635 114.554 0.211 0.000 3.088 61 T HA 0.121 4.476 4.350 0.009 0.000 0.259 61 T C 0.863 175.628 174.700 0.107 0.000 1.122 61 T CA 1.872 64.079 62.100 0.179 0.000 1.095 61 T CB -0.038 68.883 68.868 0.089 0.000 0.930 61 T HN 0.551 nan 8.240 nan 0.000 0.508 62 D N 0.530 120.979 120.400 0.081 0.000 2.582 62 D HA 0.218 4.863 4.640 0.009 0.000 0.246 62 D C 0.093 176.427 176.300 0.056 0.000 1.334 62 D CA -0.398 53.636 54.000 0.056 0.000 0.805 62 D CB 0.027 40.849 40.800 0.035 0.000 1.087 62 D HN 0.465 nan 8.370 nan 0.000 0.499 63 S N -1.334 114.405 115.700 0.066 0.000 2.547 63 S HA 0.473 4.949 4.470 0.009 0.000 0.270 63 S C -1.300 173.331 174.600 0.052 0.000 1.150 63 S CA -0.989 57.248 58.200 0.060 0.000 0.850 63 S CB 2.194 65.434 63.200 0.067 0.000 1.118 63 S HN 0.060 nan 8.310 nan 0.000 0.461 64 Q N 1.165 120.989 119.800 0.040 0.000 2.333 64 Q HA 0.570 4.916 4.340 0.009 0.000 0.265 64 Q C 0.519 176.539 176.000 0.034 0.000 0.989 64 Q CA -0.592 55.222 55.803 0.018 0.000 0.842 64 Q CB 1.277 30.017 28.738 0.004 0.000 1.262 64 Q HN 1.002 nan 8.270 nan 0.000 0.451 65 G N 1.132 109.951 108.800 0.033 0.000 2.486 65 G HA2 0.062 4.028 3.960 0.009 0.000 0.272 65 G HA3 0.062 4.028 3.960 0.009 0.000 0.272 65 G C 0.653 175.573 174.900 0.033 0.000 1.426 65 G CA -0.433 44.699 45.100 0.052 0.000 1.058 65 G HN 0.530 nan 8.290 nan 0.000 0.531 66 V N -0.097 119.842 119.914 0.041 0.000 2.970 66 V HA 0.052 4.178 4.120 0.009 0.000 0.260 66 V C 1.100 177.201 176.094 0.011 0.000 1.100 66 V CA 0.879 63.197 62.300 0.030 0.000 1.122 66 V CB -0.599 31.248 31.823 0.040 0.000 0.721 66 V HN 0.281 nan 8.190 nan 0.000 0.483 67 I N 3.003 123.572 120.570 -0.002 0.000 2.315 67 I HA 0.273 4.448 4.170 0.009 0.000 0.291 67 I C -1.920 174.168 176.117 -0.049 0.000 1.006 67 I CA -1.881 59.406 61.300 -0.021 0.000 1.265 67 I CB 1.489 39.475 38.000 -0.024 0.000 1.387 67 I HN 0.102 nan 8.210 nan 0.000 0.475 68 P HA 0.115 nan 4.420 nan 0.000 0.274 68 P C 0.501 177.746 177.300 -0.090 0.000 1.246 68 P CA 0.063 63.129 63.100 -0.058 0.000 0.795 68 P CB 0.779 32.456 31.700 -0.038 0.000 1.006 69 G N 0.640 109.379 108.800 -0.102 0.000 2.221 69 G HA2 -0.242 3.724 3.960 0.009 0.000 0.265 69 G HA3 -0.242 3.724 3.960 0.009 0.000 0.265 69 G C -0.125 174.657 174.900 -0.197 0.000 1.041 69 G CA -0.146 44.883 45.100 -0.119 0.000 0.807 69 G HN 0.462 nan 8.290 nan 0.000 0.502 70 I N 0.335 120.725 120.570 -0.300 0.000 2.312 70 I HA 0.270 4.445 4.170 0.009 0.000 0.290 70 I C -0.568 175.185 176.117 -0.606 0.000 1.008 70 I CA -2.522 58.430 61.300 -0.580 0.000 1.226 70 I CB 1.771 39.319 38.000 -0.754 0.000 1.371 70 I HN -0.123 nan 8.210 nan 0.000 0.468 71 P HA -0.203 nan 4.420 nan 0.000 0.216 71 P C 1.064 178.338 177.300 -0.044 0.000 1.154 71 P CA 1.680 64.689 63.100 -0.152 0.000 0.865 71 P CB -0.042 31.684 31.700 0.044 0.000 0.789 72 W N -0.949 120.356 121.300 0.009 0.000 2.905 72 W HA 0.176 4.841 4.660 0.009 0.000 0.251 72 W C 0.072 176.596 176.519 0.008 0.000 1.305 72 W CA -0.423 56.926 57.345 0.007 0.000 1.465 72 W CB -1.900 27.562 29.460 0.004 0.000 1.122 72 W HN -0.205 nan 8.180 nan 0.000 0.659 73 N N 3.535 122.128 118.700 -0.179 0.000 2.479 73 N HA 0.080 4.826 4.740 0.009 0.000 0.257 73 N C -2.098 173.408 175.510 -0.006 0.000 1.232 73 N CA -1.338 51.669 53.050 -0.071 0.000 0.920 73 N CB 0.357 38.751 38.487 -0.154 0.000 1.105 73 N HN -0.193 nan 8.380 nan 0.000 0.444 74 P HA -0.006 nan 4.420 nan 0.000 0.274 74 P C -0.787 176.519 177.300 0.010 0.000 1.237 74 P CA -0.138 62.976 63.100 0.024 0.000 0.793 74 P CB 0.519 32.240 31.700 0.036 0.000 0.977 75 D N 0.824 121.233 120.400 0.015 0.000 2.398 75 D HA -0.006 4.639 4.640 0.009 0.000 0.250 75 D C 1.224 177.544 176.300 0.033 0.000 1.287 75 D CA 0.230 54.240 54.000 0.017 0.000 0.992 75 D CB -0.100 40.712 40.800 0.019 0.000 1.071 75 D HN 0.218 nan 8.370 nan 0.000 0.514 76 S N 2.322 118.041 115.700 0.033 0.000 2.481 76 S HA -0.091 4.385 4.470 0.009 0.000 0.231 76 S C 1.378 176.019 174.600 0.069 0.000 0.996 76 S CA 0.482 58.710 58.200 0.046 0.000 0.942 76 S CB -0.035 63.190 63.200 0.041 0.000 0.768 76 S HN 0.506 nan 8.310 nan 0.000 0.520 77 E N 1.309 121.554 120.200 0.075 0.000 2.122 77 E HA 0.008 4.363 4.350 0.009 0.000 0.190 77 E C 2.044 178.728 176.600 0.141 0.000 0.977 77 E CA 0.588 57.062 56.400 0.123 0.000 0.820 77 E CB -0.100 29.662 29.700 0.103 0.000 0.770 77 E HN 0.581 nan 8.360 nan 0.000 0.462 78 K N 1.313 121.769 120.400 0.095 0.000 2.026 78 K HA -0.149 4.177 4.320 0.009 0.000 0.208 78 K C 2.123 178.773 176.600 0.083 0.000 1.048 78 K CA 0.945 57.284 56.287 0.086 0.000 0.929 78 K CB -0.062 32.472 32.500 0.055 0.000 0.713 78 K HN 0.068 nan 8.250 nan 0.000 0.439 79 L N 0.537 121.802 121.223 0.071 0.000 2.042 79 L HA -0.208 4.138 4.340 0.009 0.000 0.210 79 L C 2.659 179.575 176.870 0.077 0.000 1.076 79 L CA 1.374 56.252 54.840 0.062 0.000 0.749 79 L CB -0.611 41.479 42.059 0.051 0.000 0.893 79 L HN 0.296 nan 8.230 nan 0.000 0.432 80 A N -0.159 122.723 122.820 0.104 0.000 1.902 80 A HA -0.215 4.111 4.320 0.009 0.000 0.217 80 A C 2.209 179.920 177.584 0.212 0.000 1.181 80 A CA 1.658 53.780 52.037 0.142 0.000 0.623 80 A CB -0.645 18.423 19.000 0.113 0.000 0.818 80 A HN 0.309 nan 8.150 nan 0.000 0.443 81 L N 0.189 121.548 121.223 0.228 0.000 2.017 81 L HA -0.150 4.196 4.340 0.009 0.000 0.208 81 L C 1.657 178.531 176.870 0.006 0.000 1.073 81 L CA 2.477 57.395 54.840 0.130 0.000 0.745 81 L CB -0.795 41.365 42.059 0.169 0.000 0.894 81 L HN 0.332 nan 8.230 nan 0.000 0.432 82 D N -0.209 120.214 120.400 0.038 0.000 2.149 82 D HA -0.180 4.466 4.640 0.009 0.000 0.198 82 D C 2.162 178.467 176.300 0.009 0.000 0.990 82 D CA 1.522 55.532 54.000 0.017 0.000 0.839 82 D CB -0.165 40.651 40.800 0.027 0.000 0.948 82 D HN 0.505 nan 8.370 nan 0.000 0.460 83 A N 0.366 123.199 122.820 0.022 0.000 1.898 83 A HA -0.099 4.227 4.320 0.009 0.000 0.216 83 A C 2.419 180.009 177.584 0.009 0.000 1.181 83 A CA 0.994 53.043 52.037 0.021 0.000 0.620 83 A CB -0.764 18.256 19.000 0.034 0.000 0.819 83 A HN 0.179 nan 8.150 nan 0.000 0.442 84 V N -0.092 119.801 119.914 -0.035 0.000 2.515 84 V HA -0.212 3.913 4.120 0.009 0.000 0.250 84 V C 2.350 178.448 176.094 0.006 0.000 1.058 84 V CA 2.404 64.662 62.300 -0.071 0.000 1.064 84 V CB -0.502 31.102 31.823 -0.364 0.000 0.675 84 V HN 0.599 nan 8.190 nan 0.000 0.461 85 K N -0.272 120.106 120.400 -0.037 0.000 2.031 85 K HA -0.169 4.157 4.320 0.009 0.000 0.205 85 K C 2.267 178.866 176.600 -0.002 0.000 1.049 85 K CA 1.443 57.724 56.287 -0.010 0.000 0.939 85 K CB -0.249 32.237 32.500 -0.023 0.000 0.717 85 K HN 0.297 nan 8.250 nan 0.000 0.438 86 K N 0.887 121.288 120.400 0.001 0.000 2.113 86 K HA -0.151 4.175 4.320 0.009 0.000 0.208 86 K C 1.839 178.437 176.600 -0.002 0.000 1.047 86 K CA 1.374 57.660 56.287 -0.002 0.000 0.928 86 K CB -0.084 32.419 32.500 0.006 0.000 0.716 86 K HN 0.147 nan 8.250 nan 0.000 0.446 87 A N -0.369 122.472 122.820 0.035 0.000 2.209 87 A HA 0.093 4.419 4.320 0.009 0.000 0.212 87 A C 1.412 178.963 177.584 -0.055 0.000 1.158 87 A CA 1.295 53.372 52.037 0.067 0.000 0.742 87 A CB -0.272 18.846 19.000 0.197 0.000 0.790 87 A HN 0.588 nan 8.150 nan 0.000 0.472 88 G N -3.456 105.268 108.800 -0.126 0.000 2.211 88 G HA2 -0.201 3.765 3.960 0.009 0.000 0.201 88 G HA3 -0.201 3.765 3.960 0.009 0.000 0.201 88 G C -0.214 174.460 174.900 -0.377 0.000 0.997 88 G CA -0.208 44.686 45.100 -0.343 0.000 0.652 88 G HN 0.415 nan 8.290 nan 0.000 0.500 89 W N 0.923 122.172 121.300 -0.084 0.000 2.570 89 W HA 0.710 5.376 4.660 0.009 0.000 0.337 89 W C 0.037 176.497 176.519 -0.099 0.000 1.067 89 W CA -0.484 56.801 57.345 -0.099 0.000 1.229 89 W CB 1.837 31.202 29.460 -0.158 0.000 1.355 89 W HN 0.058 nan 8.180 nan 0.000 0.555 90 T N 3.069 117.763 114.554 0.234 0.000 2.881 90 T HA 0.324 4.680 4.350 0.009 0.000 0.291 90 T C -2.683 172.096 174.700 0.133 0.000 0.990 90 T CA -1.653 60.526 62.100 0.132 0.000 0.976 90 T CB 1.559 70.530 68.868 0.170 0.000 0.970 90 T HN -0.099 nan 8.240 nan 0.000 0.438 91 P HA 0.216 nan 4.420 nan 0.000 0.266 91 P C -0.470 176.900 177.300 0.117 0.000 1.195 91 P CA -0.266 62.877 63.100 0.072 0.000 0.768 91 P CB 0.373 32.127 31.700 0.091 0.000 0.838 92 I N 2.004 122.649 120.570 0.125 0.000 2.365 92 I HA 0.160 4.335 4.170 0.009 0.000 0.291 92 I C 1.279 177.475 176.117 0.132 0.000 1.004 92 I CA -0.385 60.962 61.300 0.078 0.000 1.311 92 I CB 0.963 38.925 38.000 -0.064 0.000 1.401 92 I HN 0.345 nan 8.210 nan 0.000 0.491 93 T N 2.569 117.163 114.554 0.067 0.000 2.868 93 T HA 0.344 4.700 4.350 0.009 0.000 0.292 93 T C 1.204 176.002 174.700 0.164 0.000 1.028 93 T CA -0.233 61.912 62.100 0.075 0.000 1.059 93 T CB 1.701 70.586 68.868 0.029 0.000 0.991 93 T HN 0.674 nan 8.240 nan 0.000 0.531 94 A N 2.168 125.099 122.820 0.184 0.000 1.940 94 A HA -0.083 4.242 4.320 0.009 0.000 0.219 94 A C 2.667 180.365 177.584 0.191 0.000 1.176 94 A CA 2.359 54.601 52.037 0.341 0.000 0.631 94 A CB -1.546 17.634 19.000 0.301 0.000 0.814 94 A HN 1.223 nan 8.150 nan 0.000 0.446 95 S N -0.210 115.551 115.700 0.101 0.000 2.348 95 S HA -0.297 4.179 4.470 0.009 0.000 0.221 95 S C 1.957 176.591 174.600 0.057 0.000 1.033 95 S CA 1.458 59.702 58.200 0.072 0.000 1.010 95 S CB -0.843 62.387 63.200 0.050 0.000 0.891 95 S HN 0.677 nan 8.310 nan 0.000 0.442 96 Q N 0.925 120.736 119.800 0.017 0.000 2.217 96 Q HA -0.075 4.271 4.340 0.009 0.000 0.209 96 Q C 2.203 178.124 176.000 -0.131 0.000 0.988 96 Q CA 1.690 57.473 55.803 -0.034 0.000 0.878 96 Q CB -0.574 28.070 28.738 -0.156 0.000 0.909 96 Q HN 0.598 nan 8.270 nan 0.000 0.424 97 L N -1.163 119.958 121.223 -0.169 0.000 2.446 97 L HA 0.126 4.472 4.340 0.009 0.000 0.219 97 L C 1.117 178.032 176.870 0.075 0.000 1.116 97 L CA 0.289 55.049 54.840 -0.133 0.000 0.844 97 L CB -0.143 41.815 42.059 -0.168 0.000 0.970 97 L HN 0.365 nan 8.230 nan 0.000 0.457 98 G N 0.322 109.184 108.800 0.103 0.000 2.323 98 G HA2 -0.350 3.615 3.960 0.009 0.000 0.292 98 G HA3 -0.350 3.615 3.960 0.009 0.000 0.292 98 G C -0.193 174.807 174.900 0.167 0.000 1.040 98 G CA 0.014 45.186 45.100 0.119 0.000 0.942 98 G HN 0.327 nan 8.290 nan 0.000 0.506 99 Y N 1.455 121.796 120.300 0.068 0.000 2.327 99 Y HA 0.418 4.973 4.550 0.009 0.000 0.336 99 Y C 1.278 177.244 175.900 0.109 0.000 1.035 99 Y CA -0.876 57.283 58.100 0.098 0.000 1.165 99 Y CB 0.977 39.527 38.460 0.149 0.000 1.181 99 Y HN 0.277 nan 8.280 nan 0.000 0.494 100 D N 2.443 122.629 120.400 -0.358 0.000 2.339 100 D HA 0.106 4.751 4.640 0.009 0.000 0.217 100 D C 0.969 176.968 176.300 -0.502 0.000 1.050 100 D CA 0.236 54.047 54.000 -0.315 0.000 0.856 100 D CB 0.062 40.753 40.800 -0.182 0.000 0.922 100 D HN 0.686 nan 8.370 nan 0.000 0.518 101 G N 0.544 108.623 108.800 -1.203 0.000 2.504 101 G HA2 0.163 4.129 3.960 0.009 0.000 0.257 101 G HA3 0.163 4.129 3.960 0.009 0.000 0.257 101 G C -0.359 174.478 174.900 -0.106 0.000 1.451 101 G CA -0.661 44.023 45.100 -0.694 0.000 1.059 101 G HN 0.151 nan 8.290 nan 0.000 0.550 102 K N -0.302 120.209 120.400 0.184 0.000 2.156 102 K HA 0.517 4.842 4.320 0.009 0.000 0.271 102 K C -0.557 176.196 176.600 0.255 0.000 0.995 102 K CA -0.316 56.053 56.287 0.136 0.000 0.890 102 K CB 0.968 33.490 32.500 0.037 0.000 1.073 102 K HN 0.647 nan 8.250 nan 0.000 0.454 103 T N -0.126 114.459 114.554 0.051 0.000 2.864 103 T HA 0.326 4.682 4.350 0.009 0.000 0.299 103 T C -0.698 173.946 174.700 -0.094 0.000 1.166 103 T CA -0.999 61.098 62.100 -0.004 0.000 1.007 103 T CB 1.541 70.262 68.868 -0.245 0.000 1.219 103 T HN 0.675 nan 8.240 nan 0.000 0.506 104 D N 0.281 120.677 120.400 -0.006 0.000 2.588 104 D HA 0.547 5.192 4.640 0.009 0.000 0.268 104 D C 1.586 177.859 176.300 -0.046 0.000 1.176 104 D CA -0.477 53.496 54.000 -0.046 0.000 1.080 104 D CB 0.691 41.534 40.800 0.071 0.000 1.186 104 D HN 0.699 nan 8.370 nan 0.000 0.619 105 A N -0.491 122.304 122.820 -0.043 0.000 2.070 105 A HA -0.146 4.179 4.320 0.009 0.000 0.220 105 A C 1.998 179.564 177.584 -0.030 0.000 1.159 105 A CA 1.056 53.070 52.037 -0.039 0.000 0.656 105 A CB -0.608 18.371 19.000 -0.034 0.000 0.800 105 A HN 0.537 nan 8.150 nan 0.000 0.453 106 R N -1.724 118.756 120.500 -0.033 0.000 2.297 106 R HA 0.225 4.571 4.340 0.009 0.000 0.197 106 R C 1.366 177.671 176.300 0.009 0.000 0.943 106 R CA 0.539 56.636 56.100 -0.006 0.000 1.038 106 R CB 0.005 30.259 30.300 -0.076 0.000 0.957 106 R HN 0.642 nan 8.270 nan 0.000 0.484 107 G N 0.706 109.463 108.800 -0.072 0.000 2.176 107 G HA2 -0.273 3.693 3.960 0.009 0.000 0.253 107 G HA3 -0.273 3.693 3.960 0.009 0.000 0.253 107 G C 0.281 174.966 174.900 -0.357 0.000 0.979 107 G CA 0.249 45.231 45.100 -0.197 0.000 0.641 107 G HN 0.307 nan 8.290 nan 0.000 0.530 108 T N 1.440 115.906 114.554 -0.147 0.000 2.928 108 T HA 0.448 4.803 4.350 0.009 0.000 0.305 108 T C 0.241 174.877 174.700 -0.107 0.000 1.035 108 T CA 0.400 62.446 62.100 -0.090 0.000 1.145 108 T CB 0.499 69.327 68.868 -0.066 0.000 0.963 108 T HN 0.217 nan 8.240 nan 0.000 0.545 109 F N 2.122 122.102 119.950 0.050 0.000 2.385 109 F HA 0.562 5.095 4.527 0.009 0.000 0.336 109 F C 0.176 176.175 175.800 0.330 0.000 1.100 109 F CA -0.941 57.172 58.000 0.188 0.000 1.116 109 F CB 0.763 39.698 39.000 -0.110 0.000 1.166 109 F HN 0.461 nan 8.300 nan 0.000 0.511 110 F N 0.372 120.619 119.950 0.494 0.000 2.538 110 F HA 0.599 5.132 4.527 0.010 0.000 0.325 110 F C 0.856 176.921 175.800 0.442 0.000 1.066 110 F CA -1.087 57.173 58.000 0.433 0.000 0.946 110 F CB 1.494 40.632 39.000 0.231 0.000 1.199 110 F HN 0.567 nan 8.300 nan 0.000 0.473 111 G N 1.074 110.044 108.800 0.284 0.000 2.614 111 G HA2 0.120 4.085 3.960 0.009 0.000 0.239 111 G HA3 0.120 4.085 3.960 0.009 0.000 0.239 111 G C 0.226 175.129 174.900 0.006 0.000 1.240 111 G CA -0.178 44.765 45.100 -0.262 0.000 0.842 111 G HN 0.874 nan 8.290 nan 0.000 0.584 112 E N -0.113 120.028 120.200 -0.099 0.000 2.251 112 E HA 0.067 4.423 4.350 0.009 0.000 0.194 112 E C 0.784 177.403 176.600 0.031 0.000 0.964 112 E CA 0.525 56.945 56.400 0.034 0.000 0.868 112 E CB 0.330 30.057 29.700 0.044 0.000 0.828 112 E HN 0.360 nan 8.360 nan 0.000 0.481 113 K N 0.313 120.725 120.400 0.020 0.000 2.281 113 K HA 0.544 4.870 4.320 0.009 0.000 0.242 113 K C -0.826 175.877 176.600 0.171 0.000 0.971 113 K CA -0.804 55.534 56.287 0.084 0.000 0.834 113 K CB 1.833 34.372 32.500 0.065 0.000 1.181 113 K HN -0.046 nan 8.250 nan 0.000 0.435 114 A N 0.601 123.501 122.820 0.133 0.000 2.561 114 A HA 0.320 4.645 4.320 0.009 0.000 0.251 114 A C 1.051 178.702 177.584 0.112 0.000 1.062 114 A CA 1.303 53.404 52.037 0.106 0.000 0.761 114 A CB -1.089 17.954 19.000 0.072 0.000 0.986 114 A HN 0.940 nan 8.150 nan 0.000 0.510 115 G N 1.166 109.970 108.800 0.007 0.000 2.157 115 G HA2 -0.252 3.713 3.960 0.009 0.000 0.239 115 G HA3 -0.252 3.713 3.960 0.009 0.000 0.239 115 G C 0.078 174.701 174.900 -0.461 0.000 0.982 115 G CA 0.779 45.764 45.100 -0.192 0.000 0.650 115 G HN 1.077 nan 8.290 nan 0.000 0.527 116 Y N -0.376 119.926 120.300 0.004 0.000 2.791 116 Y HA 0.195 4.751 4.550 0.009 0.000 0.263 116 Y C 2.307 178.176 175.900 -0.051 0.000 1.089 116 Y CA 0.581 58.634 58.100 -0.077 0.000 1.253 116 Y CB 0.111 38.415 38.460 -0.260 0.000 1.360 116 Y HN 0.322 nan 8.280 nan 0.000 0.569 117 T N -3.243 111.390 114.554 0.132 0.000 3.007 117 T HA -0.153 4.203 4.350 0.009 0.000 0.270 117 T C 1.690 176.536 174.700 0.243 0.000 1.107 117 T CA 1.678 63.880 62.100 0.170 0.000 1.118 117 T CB -0.446 68.503 68.868 0.135 0.000 0.889 117 T HN 0.406 nan 8.240 nan 0.000 0.506 118 T N -1.074 113.589 114.554 0.182 0.000 3.086 118 T HA 0.595 4.951 4.350 0.009 0.000 0.250 118 T C 0.832 175.624 174.700 0.154 0.000 1.074 118 T CA -0.062 62.146 62.100 0.179 0.000 0.988 118 T CB -0.245 68.707 68.868 0.140 0.000 0.988 118 T HN 0.540 nan 8.240 nan 0.000 0.530 119 A N 1.188 124.112 122.820 0.174 0.000 2.425 119 A HA 0.626 4.952 4.320 0.009 0.000 0.249 119 A C -0.107 177.640 177.584 0.271 0.000 1.084 119 A CA -0.347 51.839 52.037 0.248 0.000 0.781 119 A CB 0.258 19.327 19.000 0.114 0.000 1.019 119 A HN 0.551 nan 8.150 nan 0.000 0.490 120 Q N -0.296 119.677 119.800 0.288 0.000 2.397 120 Q HA 0.674 5.019 4.340 0.009 0.000 0.275 120 Q C -1.170 174.867 176.000 0.063 0.000 1.090 120 Q CA -0.452 55.393 55.803 0.070 0.000 0.809 120 Q CB 2.683 31.266 28.738 -0.258 0.000 1.362 120 Q HN 0.735 nan 8.270 nan 0.000 0.431 121 V N 1.260 121.056 119.914 -0.198 0.000 2.888 121 V HA 0.507 4.632 4.120 0.009 0.000 0.309 121 V C -1.581 174.346 176.094 -0.278 0.000 1.114 121 V CA -0.590 61.430 62.300 -0.466 0.000 0.940 121 V CB 2.242 33.386 31.823 -1.133 0.000 1.021 121 V HN 0.717 nan 8.190 nan 0.000 0.426 122 E N 5.713 125.741 120.200 -0.286 0.000 2.191 122 E HA 0.503 4.859 4.350 0.009 0.000 0.278 122 E C -1.071 175.376 176.600 -0.255 0.000 0.972 122 E CA -0.599 55.740 56.400 -0.101 0.000 0.804 122 E CB 2.125 31.831 29.700 0.011 0.000 1.110 122 E HN 0.423 nan 8.360 nan 0.000 0.394 123 I N 3.889 124.392 120.570 -0.112 0.000 2.389 123 I HA 0.353 4.529 4.170 0.009 0.000 0.288 123 I C -0.316 175.755 176.117 -0.077 0.000 0.999 123 I CA -0.725 60.430 61.300 -0.242 0.000 1.129 123 I CB 0.580 38.325 38.000 -0.426 0.000 1.288 123 I HN 0.332 nan 8.210 nan 0.000 0.444 124 L N 4.911 126.070 121.223 -0.106 0.000 2.327 124 L HA 0.951 5.297 4.340 0.009 0.000 0.258 124 L C 0.392 177.398 176.870 0.226 0.000 1.024 124 L CA -0.442 54.425 54.840 0.045 0.000 0.825 124 L CB 2.136 44.166 42.059 -0.050 0.000 1.386 124 L HN 0.639 nan 8.230 nan 0.000 0.417 125 G N -0.074 108.911 108.800 0.308 0.000 2.591 125 G HA2 0.590 4.556 3.960 0.009 0.000 0.306 125 G HA3 0.590 4.556 3.960 0.009 0.000 0.306 125 G C -1.592 173.254 174.900 -0.091 0.000 1.334 125 G CA -0.512 44.646 45.100 0.097 0.000 0.981 125 G HN 0.347 nan 8.290 nan 0.000 0.491 126 K N 0.908 121.034 120.400 -0.457 0.000 2.159 126 K HA 0.501 4.826 4.320 0.009 0.000 0.266 126 K C -1.330 174.882 176.600 -0.647 0.000 0.975 126 K CA -0.538 55.371 56.287 -0.630 0.000 0.865 126 K CB 1.293 33.194 32.500 -0.998 0.000 1.087 126 K HN 0.523 nan 8.250 nan 0.000 0.446 127 Y N 1.251 121.460 120.300 -0.152 0.000 2.446 127 Y HA 0.107 4.662 4.550 0.009 0.000 0.345 127 Y C 0.428 176.271 175.900 -0.095 0.000 0.984 127 Y CA -1.051 56.998 58.100 -0.084 0.000 1.058 127 Y CB 1.306 39.732 38.460 -0.057 0.000 1.220 127 Y HN 0.714 nan 8.280 nan 0.000 0.455 128 D N 0.675 121.121 120.400 0.077 0.000 2.398 128 D HA 0.261 4.907 4.640 0.009 0.000 0.264 128 D C 1.150 177.460 176.300 0.016 0.000 1.263 128 D CA -0.074 53.943 54.000 0.029 0.000 1.037 128 D CB 0.426 41.253 40.800 0.046 0.000 1.101 128 D HN 0.553 nan 8.370 nan 0.000 0.551 129 A N -0.976 121.844 122.820 0.000 0.000 2.019 129 A HA -0.173 4.153 4.320 0.009 0.000 0.219 129 A C 1.744 179.305 177.584 -0.038 0.000 1.164 129 A CA 1.149 53.176 52.037 -0.017 0.000 0.644 129 A CB -0.581 18.412 19.000 -0.013 0.000 0.805 129 A HN 0.478 nan 8.150 nan 0.000 0.449 130 Q N -1.284 118.488 119.800 -0.047 0.000 2.360 130 Q HA 0.235 4.581 4.340 0.009 0.000 0.202 130 Q C 1.126 176.945 176.000 -0.301 0.000 0.915 130 Q CA 0.674 56.395 55.803 -0.137 0.000 0.943 130 Q CB -0.302 28.389 28.738 -0.079 0.000 1.064 130 Q HN 1.013 nan 8.270 nan 0.000 0.511 131 G N 1.109 109.799 108.800 -0.184 0.000 2.143 131 G HA2 -0.271 3.695 3.960 0.009 0.000 0.249 131 G HA3 -0.271 3.695 3.960 0.009 0.000 0.249 131 G C -0.389 174.462 174.900 -0.081 0.000 0.981 131 G CA 0.141 45.145 45.100 -0.162 0.000 0.665 131 G HN 0.543 nan 8.290 nan 0.000 0.528 132 H N -0.825 118.326 119.070 0.136 0.000 2.646 132 H HA 0.471 5.033 4.556 0.009 0.000 0.325 132 H C 0.650 176.074 175.328 0.160 0.000 1.075 132 H CA -0.712 55.419 56.048 0.139 0.000 1.421 132 H CB 1.364 31.151 29.762 0.042 0.000 1.461 132 H HN 0.248 nan 8.280 nan 0.000 0.525 133 L N 3.279 124.648 121.223 0.243 0.000 2.584 133 L HA -0.037 4.308 4.340 0.009 0.000 0.272 133 L C 1.123 177.924 176.870 -0.114 0.000 1.195 133 L CA 0.804 55.558 54.840 -0.144 0.000 0.920 133 L CB 0.283 42.266 42.059 -0.128 0.000 1.173 133 L HN 0.951 nan 8.230 nan 0.000 0.489 134 T N 0.441 114.877 114.554 -0.198 0.000 2.971 134 T HA 0.331 4.686 4.350 0.009 0.000 0.252 134 T C 0.495 175.111 174.700 -0.140 0.000 1.022 134 T CA -0.117 61.901 62.100 -0.136 0.000 0.980 134 T CB 0.092 68.880 68.868 -0.133 0.000 1.044 134 T HN 0.597 nan 8.240 nan 0.000 0.501 135 E N -0.021 120.070 120.200 -0.182 0.000 2.363 135 E HA 0.547 4.903 4.350 0.009 0.000 0.281 135 E C -1.792 174.846 176.600 0.064 0.000 0.953 135 E CA -0.728 55.626 56.400 -0.077 0.000 0.778 135 E CB 2.497 32.094 29.700 -0.172 0.000 1.220 135 E HN 0.280 nan 8.360 nan 0.000 0.431 136 I N 1.842 122.511 120.570 0.165 0.000 2.377 136 I HA 0.470 4.646 4.170 0.009 0.000 0.293 136 I C 0.397 176.586 176.117 0.120 0.000 0.987 136 I CA -0.513 60.905 61.300 0.196 0.000 1.185 136 I CB 1.877 39.962 38.000 0.142 0.000 1.341 136 I HN 0.466 nan 8.210 nan 0.000 0.455 137 G N 6.914 115.664 108.800 -0.083 0.000 2.416 137 G HA2 0.748 4.714 3.960 0.009 0.000 0.324 137 G HA3 0.748 4.714 3.960 0.009 0.000 0.324 137 G C -0.809 173.785 174.900 -0.510 0.000 1.194 137 G CA -0.402 44.343 45.100 -0.591 0.000 0.922 137 G HN 0.494 nan 8.290 nan 0.000 0.467 138 I N 1.901 122.145 120.570 -0.542 0.000 2.411 138 I HA 0.473 4.649 4.170 0.009 0.000 0.284 138 I C 0.175 175.849 176.117 -0.739 0.000 1.012 138 I CA -0.768 60.126 61.300 -0.676 0.000 1.119 138 I CB 2.128 39.681 38.000 -0.745 0.000 1.261 138 I HN 0.530 nan 8.210 nan 0.000 0.448 139 A N 7.229 129.618 122.820 -0.719 0.000 2.431 139 A HA 0.668 4.994 4.320 0.009 0.000 0.318 139 A C -0.792 176.482 177.584 -0.518 0.000 1.330 139 A CA -0.353 51.367 52.037 -0.528 0.000 0.804 139 A CB -0.046 18.718 19.000 -0.393 0.000 1.135 139 A HN 0.510 nan 8.150 nan 0.000 0.483 140 F N 1.417 121.237 119.950 -0.218 0.000 2.456 140 F HA 0.334 4.867 4.527 0.009 0.000 0.358 140 F C 1.260 176.951 175.800 -0.182 0.000 1.095 140 F CA 0.002 57.912 58.000 -0.150 0.000 1.216 140 F CB 0.796 39.783 39.000 -0.022 0.000 1.125 140 F HN 0.540 nan 8.300 nan 0.000 0.549 141 R N 1.986 122.470 120.500 -0.026 0.000 2.442 141 R HA 0.280 4.626 4.340 0.009 0.000 0.291 141 R C 0.689 176.964 176.300 -0.041 0.000 1.069 141 R CA -0.087 55.891 56.100 -0.203 0.000 1.022 141 R CB 0.332 30.529 30.300 -0.173 0.000 0.976 141 R HN 0.921 nan 8.270 nan 0.000 0.443 142 G N 1.867 110.609 108.800 -0.096 0.000 2.570 142 G HA2 -0.029 3.936 3.960 0.009 0.000 0.276 142 G HA3 -0.029 3.936 3.960 0.009 0.000 0.276 142 G C -0.555 174.512 174.900 0.278 0.000 1.346 142 G CA -0.515 44.704 45.100 0.198 0.000 1.034 142 G HN 0.582 nan 8.290 nan 0.000 0.512 143 T N 0.563 115.307 114.554 0.317 0.000 2.908 143 T HA 0.390 4.746 4.350 0.009 0.000 0.301 143 T C 0.429 175.294 174.700 0.276 0.000 1.019 143 T CA 1.321 63.578 62.100 0.263 0.000 1.152 143 T CB -0.096 68.932 68.868 0.266 0.000 0.966 143 T HN 1.908 nan 8.240 nan 0.000 0.540 144 S N 1.205 117.021 115.700 0.194 0.000 2.920 144 S HA 0.362 4.838 4.470 0.009 0.000 0.451 144 S C -0.522 174.156 174.600 0.131 0.000 0.625 144 S CA -0.683 57.613 58.200 0.161 0.000 1.404 144 S CB -0.768 62.544 63.200 0.185 0.000 1.597 144 S HN 1.445 nan 8.310 nan 0.000 0.428 145 G N -0.117 108.741 108.800 0.097 0.000 2.749 145 G HA2 0.809 4.774 3.960 0.009 0.000 0.300 145 G HA3 0.809 4.774 3.960 0.009 0.000 0.300 145 G C -3.530 171.397 174.900 0.046 0.000 1.352 145 G CA -1.128 44.006 45.100 0.057 0.000 0.789 145 G HN 0.731 nan 8.290 nan 0.000 0.509 146 P HA 0.118 nan 4.420 nan 0.000 0.265 146 P C 0.905 178.220 177.300 0.026 0.000 1.187 146 P CA 0.011 63.115 63.100 0.007 0.000 0.766 146 P CB 0.672 32.404 31.700 0.053 0.000 0.820 147 R N 2.141 122.645 120.500 0.007 0.000 2.133 147 R HA -0.246 4.099 4.340 0.009 0.000 0.247 147 R C 1.539 177.846 176.300 0.012 0.000 1.151 147 R CA 1.838 57.945 56.100 0.011 0.000 0.971 147 R CB -0.398 29.901 30.300 -0.001 0.000 0.866 147 R HN 0.580 nan 8.270 nan 0.000 0.447 148 E N -0.454 119.752 120.200 0.010 0.000 2.331 148 E HA -0.135 4.221 4.350 0.009 0.000 0.199 148 E C 0.710 177.324 176.600 0.023 0.000 1.008 148 E CA 0.919 57.326 56.400 0.010 0.000 0.843 148 E CB -0.078 29.628 29.700 0.009 0.000 0.761 148 E HN 0.364 nan 8.360 nan 0.000 0.507 149 N N -0.422 118.301 118.700 0.039 0.000 2.471 149 N HA 0.037 4.783 4.740 0.009 0.000 0.270 149 N C 0.589 176.131 175.510 0.054 0.000 1.490 149 N CA -0.052 53.028 53.050 0.050 0.000 0.850 149 N CB 0.235 38.766 38.487 0.074 0.000 1.411 149 N HN -0.017 nan 8.380 nan 0.000 0.488 150 L N 1.089 122.337 121.223 0.042 0.000 1.971 150 L HA -0.169 4.177 4.340 0.009 0.000 0.215 150 L C 1.727 178.623 176.870 0.044 0.000 1.072 150 L CA 1.945 56.812 54.840 0.045 0.000 0.758 150 L CB -0.345 41.735 42.059 0.035 0.000 0.889 150 L HN 0.254 nan 8.230 nan 0.000 0.433 151 I N -0.782 119.808 120.570 0.033 0.000 2.163 151 I HA -0.268 3.908 4.170 0.009 0.000 0.240 151 I C 2.629 178.764 176.117 0.031 0.000 1.081 151 I CA 1.446 62.761 61.300 0.025 0.000 1.353 151 I CB -1.278 36.731 38.000 0.016 0.000 1.054 151 I HN 0.300 nan 8.210 nan 0.000 0.407 152 L N 0.267 121.512 121.223 0.036 0.000 2.141 152 L HA -0.216 4.130 4.340 0.009 0.000 0.209 152 L C 2.389 179.292 176.870 0.056 0.000 1.094 152 L CA 1.364 56.227 54.840 0.039 0.000 0.763 152 L CB -0.415 41.667 42.059 0.038 0.000 0.908 152 L HN 0.337 nan 8.230 nan 0.000 0.437 153 D N -0.760 119.683 120.400 0.072 0.000 2.097 153 D HA -0.152 4.494 4.640 0.009 0.000 0.197 153 D C 2.090 178.441 176.300 0.085 0.000 0.984 153 D CA 1.426 55.483 54.000 0.094 0.000 0.826 153 D CB 0.332 41.200 40.800 0.113 0.000 0.973 153 D HN 0.209 nan 8.370 nan 0.000 0.460 154 S N 0.493 116.236 115.700 0.073 0.000 2.374 154 S HA -0.167 4.308 4.470 0.009 0.000 0.227 154 S C 2.199 176.831 174.600 0.054 0.000 1.037 154 S CA 0.765 59.006 58.200 0.068 0.000 1.024 154 S CB -0.260 62.970 63.200 0.050 0.000 0.861 154 S HN 0.338 nan 8.310 nan 0.000 0.456 155 I N 1.412 122.005 120.570 0.039 0.000 2.208 155 I HA -0.180 3.995 4.170 0.009 0.000 0.245 155 I C 2.679 178.817 176.117 0.034 0.000 1.097 155 I CA 1.235 62.551 61.300 0.027 0.000 1.363 155 I CB -0.831 37.179 38.000 0.017 0.000 1.051 155 I HN 0.378 nan 8.210 nan 0.000 0.413 156 G N 0.336 109.164 108.800 0.047 0.000 2.446 156 G HA2 -0.261 3.704 3.960 0.009 0.000 0.217 156 G HA3 -0.261 3.704 3.960 0.009 0.000 0.217 156 G C 1.278 176.219 174.900 0.067 0.000 1.168 156 G CA 1.059 46.188 45.100 0.050 0.000 0.771 156 G HN 0.291 nan 8.290 nan 0.000 0.551 157 D N 0.085 120.541 120.400 0.093 0.000 2.149 157 D HA -0.083 4.563 4.640 0.009 0.000 0.198 157 D C 2.676 179.033 176.300 0.094 0.000 0.990 157 D CA 0.679 54.752 54.000 0.121 0.000 0.839 157 D CB -0.271 40.610 40.800 0.134 0.000 0.948 157 D HN 0.238 nan 8.370 nan 0.000 0.460 158 V N 0.832 120.789 119.914 0.071 0.000 2.591 158 V HA -0.106 4.019 4.120 0.009 0.000 0.249 158 V C 2.420 178.535 176.094 0.036 0.000 1.053 158 V CA 0.577 62.913 62.300 0.060 0.000 1.068 158 V CB -0.158 31.690 31.823 0.042 0.000 0.689 158 V HN 0.151 nan 8.190 nan 0.000 0.462 159 I N 0.846 121.428 120.570 0.019 0.000 2.208 159 I HA -0.297 3.878 4.170 0.009 0.000 0.245 159 I C 2.175 178.269 176.117 -0.039 0.000 1.097 159 I CA 2.093 63.385 61.300 -0.014 0.000 1.363 159 I CB -0.616 37.368 38.000 -0.027 0.000 1.051 159 I HN 0.430 nan 8.210 nan 0.000 0.413 160 N N 0.646 119.357 118.700 0.018 0.000 2.084 160 N HA -0.204 4.542 4.740 0.009 0.000 0.190 160 N C 1.417 176.956 175.510 0.049 0.000 1.030 160 N CA 1.416 54.523 53.050 0.095 0.000 0.849 160 N CB -0.142 38.502 38.487 0.261 0.000 1.012 160 N HN 0.314 nan 8.380 nan 0.000 0.423 161 D N 1.101 121.519 120.400 0.029 0.000 2.133 161 D HA -0.144 4.502 4.640 0.009 0.000 0.195 161 D C 2.017 178.302 176.300 -0.025 0.000 0.997 161 D CA 0.901 54.906 54.000 0.008 0.000 0.840 161 D CB -0.357 40.474 40.800 0.051 0.000 0.947 161 D HN 0.291 nan 8.370 nan 0.000 0.452 162 L N 0.162 121.380 121.223 -0.008 0.000 2.141 162 L HA -0.106 4.240 4.340 0.009 0.000 0.209 162 L C 2.561 179.396 176.870 -0.059 0.000 1.094 162 L CA 0.482 55.343 54.840 0.034 0.000 0.763 162 L CB -0.242 41.878 42.059 0.101 0.000 0.908 162 L HN 0.022 nan 8.230 nan 0.000 0.437 163 L N -0.605 120.478 121.223 -0.232 0.000 2.109 163 L HA -0.114 4.232 4.340 0.009 0.000 0.207 163 L C 2.873 179.482 176.870 -0.435 0.000 1.086 163 L CA 0.800 55.335 54.840 -0.509 0.000 0.760 163 L CB -0.641 40.748 42.059 -1.116 0.000 0.910 163 L HN 0.215 nan 8.230 nan 0.000 0.437 164 A N 0.213 122.925 122.820 -0.180 0.000 1.958 164 A HA -0.267 4.059 4.320 0.009 0.000 0.221 164 A C 2.395 179.923 177.584 -0.093 0.000 1.178 164 A CA 2.216 54.282 52.037 0.049 0.000 0.642 164 A CB -0.549 18.474 19.000 0.038 0.000 0.816 164 A HN 0.449 nan 8.150 nan 0.000 0.453 165 A N -2.969 119.688 122.820 -0.272 0.000 1.997 165 A HA 0.459 4.785 4.320 0.009 0.000 0.212 165 A C 1.281 178.478 177.584 -0.645 0.000 1.178 165 A CA 0.960 52.670 52.037 -0.546 0.000 0.698 165 A CB 0.028 18.437 19.000 -0.986 0.000 0.842 165 A HN 0.463 nan 8.150 nan 0.000 0.458 166 F N -1.471 118.398 119.950 -0.136 0.000 2.856 166 F HA 0.345 4.877 4.527 0.009 0.000 0.338 166 F C 1.343 177.062 175.800 -0.135 0.000 1.100 166 F CA -0.467 57.430 58.000 -0.171 0.000 1.150 166 F CB -0.040 38.821 39.000 -0.231 0.000 1.101 166 F HN 0.207 nan 8.300 nan 0.000 0.548 167 G N 0.258 109.048 108.800 -0.016 0.000 2.641 167 G HA2 0.473 4.439 3.960 0.009 0.000 0.239 167 G HA3 0.473 4.439 3.960 0.009 0.000 0.239 167 G C -2.362 172.553 174.900 0.024 0.000 1.402 167 G CA -1.275 43.792 45.100 -0.054 0.000 1.046 167 G HN -0.187 nan 8.290 nan 0.000 0.565 168 P HA 0.152 nan 4.420 nan 0.000 0.264 168 P C -0.023 177.347 177.300 0.118 0.000 1.183 168 P CA -0.028 63.134 63.100 0.103 0.000 0.763 168 P CB 0.521 32.314 31.700 0.154 0.000 0.807 169 K N 2.757 123.207 120.400 0.082 0.000 2.559 169 K HA -0.124 4.201 4.320 0.009 0.000 0.279 169 K C 0.259 176.912 176.600 0.088 0.000 0.967 169 K CA 0.682 57.013 56.287 0.073 0.000 1.000 169 K CB -0.134 32.396 32.500 0.050 0.000 0.890 169 K HN 0.521 nan 8.250 nan 0.000 0.501 170 D N 1.060 121.505 120.400 0.076 0.000 3.059 170 D HA -0.277 4.369 4.640 0.009 0.000 0.220 170 D C 0.317 176.676 176.300 0.098 0.000 1.169 170 D CA 1.317 55.357 54.000 0.065 0.000 0.902 170 D CB -1.633 39.189 40.800 0.036 0.000 1.116 170 D HN 0.706 nan 8.370 nan 0.000 0.417 171 Y N 0.616 120.944 120.300 0.047 0.000 2.181 171 Y HA -0.069 4.487 4.550 0.009 0.000 0.288 171 Y C 2.360 178.324 175.900 0.107 0.000 1.146 171 Y CA 2.715 60.867 58.100 0.086 0.000 1.164 171 Y CB -0.240 38.267 38.460 0.078 0.000 0.982 171 Y HN 0.137 nan 8.280 nan 0.000 0.515 172 A N 0.560 123.467 122.820 0.144 0.000 1.873 172 A HA -0.180 4.146 4.320 0.009 0.000 0.215 172 A C 2.284 179.859 177.584 -0.016 0.000 1.186 172 A CA 1.730 53.792 52.037 0.041 0.000 0.616 172 A CB -0.850 18.172 19.000 0.037 0.000 0.823 172 A HN 0.514 nan 8.150 nan 0.000 0.442 173 K N -0.183 120.214 120.400 -0.005 0.000 2.059 173 K HA -0.231 4.095 4.320 0.009 0.000 0.212 173 K C 1.110 177.697 176.600 -0.022 0.000 1.050 173 K CA 1.957 58.236 56.287 -0.014 0.000 0.927 173 K CB -0.269 32.226 32.500 -0.008 0.000 0.714 173 K HN 0.467 nan 8.250 nan 0.000 0.447 174 N N -0.153 118.514 118.700 -0.055 0.000 2.398 174 N HA -0.091 4.655 4.740 0.009 0.000 0.188 174 N C 1.201 176.630 175.510 -0.135 0.000 1.122 174 N CA 0.272 53.268 53.050 -0.090 0.000 0.866 174 N CB 0.006 38.430 38.487 -0.105 0.000 0.970 174 N HN 0.342 nan 8.380 nan 0.000 0.462 175 Y N 1.734 121.876 120.300 -0.263 0.000 2.097 175 Y HA -0.232 4.324 4.550 0.010 0.000 0.282 175 Y C 2.129 177.875 175.900 -0.257 0.000 1.152 175 Y CA 1.513 59.449 58.100 -0.274 0.000 1.136 175 Y CB -0.313 38.039 38.460 -0.180 0.000 0.975 175 Y HN -0.199 nan 8.280 nan 0.000 0.498 176 V N 0.537 120.416 119.914 -0.059 0.000 2.490 176 V HA -0.250 3.876 4.120 0.009 0.000 0.250 176 V C 2.615 178.740 176.094 0.051 0.000 1.061 176 V CA 1.788 64.059 62.300 -0.049 0.000 1.064 176 V CB -1.520 30.306 31.823 0.005 0.000 0.670 176 V HN 0.692 nan 8.190 nan 0.000 0.461 177 G N -0.292 108.541 108.800 0.055 0.000 2.440 177 G HA2 -0.231 3.735 3.960 0.009 0.000 0.218 177 G HA3 -0.231 3.735 3.960 0.009 0.000 0.218 177 G C 1.501 176.310 174.900 -0.152 0.000 1.154 177 G CA 0.819 45.938 45.100 0.031 0.000 0.767 177 G HN 0.501 nan 8.290 nan 0.000 0.552 178 E N 0.723 120.659 120.200 -0.440 0.000 2.051 178 E HA 0.045 4.400 4.350 0.009 0.000 0.189 178 E C 2.939 179.042 176.600 -0.828 0.000 0.979 178 E CA 0.970 56.931 56.400 -0.732 0.000 0.803 178 E CB -0.588 28.313 29.700 -1.332 0.000 0.761 178 E HN 0.351 nan 8.360 nan 0.000 0.451 179 A N 0.032 122.233 122.820 -1.032 0.000 1.929 179 A HA -0.054 4.271 4.320 0.009 0.000 0.216 179 A C 1.087 178.087 177.584 -0.974 0.000 1.176 179 A CA 1.067 52.461 52.037 -1.073 0.000 0.628 179 A CB -0.145 18.047 19.000 -1.345 0.000 0.816 179 A HN 0.196 nan 8.150 nan 0.000 0.444 180 F N -1.883 118.019 119.950 -0.080 0.000 2.901 180 F HA 0.294 4.827 4.527 0.009 0.000 0.329 180 F C 1.867 177.747 175.800 0.133 0.000 1.185 180 F CA -0.583 57.434 58.000 0.028 0.000 1.114 180 F CB -0.392 38.612 39.000 0.007 0.000 1.199 180 F HN 0.148 nan 8.300 nan 0.000 0.513 181 G N 0.906 109.900 108.800 0.324 0.000 2.556 181 G HA2 -0.427 3.538 3.960 0.009 0.000 0.220 181 G HA3 -0.427 3.538 3.960 0.009 0.000 0.220 181 G C 1.703 176.886 174.900 0.472 0.000 1.156 181 G CA 1.869 47.264 45.100 0.491 0.000 0.766 181 G HN 0.379 nan 8.290 nan 0.000 0.583 182 N N 0.083 118.976 118.700 0.323 0.000 2.106 182 N HA -0.060 4.686 4.740 0.009 0.000 0.188 182 N C 2.124 177.827 175.510 0.322 0.000 1.029 182 N CA 1.144 54.386 53.050 0.321 0.000 0.848 182 N CB -0.435 38.225 38.487 0.288 0.000 1.007 182 N HN 0.189 nan 8.380 nan 0.000 0.423 183 L N 0.858 122.252 121.223 0.285 0.000 2.051 183 L HA -0.124 4.222 4.340 0.009 0.000 0.214 183 L C 1.990 178.751 176.870 -0.182 0.000 1.076 183 L CA 1.590 56.326 54.840 -0.173 0.000 0.758 183 L CB -0.770 40.971 42.059 -0.529 0.000 0.890 183 L HN 0.316 nan 8.230 nan 0.000 0.433 184 L N -0.869 120.285 121.223 -0.116 0.000 2.046 184 L HA -0.218 4.128 4.340 0.009 0.000 0.208 184 L C 2.372 179.237 176.870 -0.009 0.000 1.077 184 L CA 1.238 55.902 54.840 -0.293 0.000 0.747 184 L CB -0.914 40.534 42.059 -1.019 0.000 0.896 184 L HN 0.377 nan 8.230 nan 0.000 0.432 185 N N 0.424 119.260 118.700 0.226 0.000 2.061 185 N HA -0.206 4.540 4.740 0.009 0.000 0.193 185 N C 1.429 176.999 175.510 0.100 0.000 1.030 185 N CA 1.632 54.825 53.050 0.238 0.000 0.856 185 N CB -0.410 38.236 38.487 0.266 0.000 1.023 185 N HN 0.322 nan 8.380 nan 0.000 0.424 186 D N 0.107 120.564 120.400 0.094 0.000 2.178 186 D HA -0.061 4.584 4.640 0.009 0.000 0.201 186 D C 2.043 178.368 176.300 0.041 0.000 0.980 186 D CA 0.365 54.408 54.000 0.072 0.000 0.842 186 D CB -0.226 40.634 40.800 0.099 0.000 0.948 186 D HN 0.047 nan 8.370 nan 0.000 0.472 187 V N 0.352 120.262 119.914 -0.007 0.000 2.379 187 V HA -0.176 3.950 4.120 0.009 0.000 0.245 187 V C 2.592 178.725 176.094 0.066 0.000 1.044 187 V CA 0.807 63.134 62.300 0.046 0.000 1.036 187 V CB -0.257 31.551 31.823 -0.025 0.000 0.664 187 V HN 0.052 nan 8.190 nan 0.000 0.453 188 V N 0.526 120.390 119.914 -0.084 0.000 2.252 188 V HA -0.335 3.790 4.120 0.009 0.000 0.249 188 V C 2.722 178.536 176.094 -0.467 0.000 1.056 188 V CA 2.412 64.345 62.300 -0.611 0.000 1.022 188 V CB -1.182 30.276 31.823 -0.609 0.000 0.641 188 V HN 0.577 nan 8.190 nan 0.000 0.445 189 A N -0.945 121.764 122.820 -0.185 0.000 1.933 189 A HA -0.228 4.098 4.320 0.009 0.000 0.218 189 A C 2.104 179.682 177.584 -0.011 0.000 1.175 189 A CA 1.963 53.944 52.037 -0.093 0.000 0.628 189 A CB -0.707 18.289 19.000 -0.006 0.000 0.814 189 A HN 0.541 nan 8.150 nan 0.000 0.444 190 F N 0.876 120.777 119.950 -0.082 0.000 2.234 190 F HA -0.004 4.528 4.527 0.009 0.000 0.299 190 F C 2.391 178.176 175.800 -0.025 0.000 1.087 190 F CA 0.939 58.920 58.000 -0.032 0.000 1.340 190 F CB -0.268 38.725 39.000 -0.011 0.000 1.031 190 F HN 0.241 nan 8.300 nan 0.000 0.500 191 A N 0.397 123.174 122.820 -0.072 0.000 1.898 191 A HA -0.099 4.227 4.320 0.009 0.000 0.214 191 A C 2.288 179.806 177.584 -0.109 0.000 1.183 191 A CA 1.252 53.243 52.037 -0.078 0.000 0.622 191 A CB -0.496 18.605 19.000 0.167 0.000 0.824 191 A HN 0.339 nan 8.150 nan 0.000 0.444 192 K N -0.002 120.300 120.400 -0.163 0.000 2.026 192 K HA -0.114 4.212 4.320 0.009 0.000 0.208 192 K C 2.292 178.824 176.600 -0.114 0.000 1.048 192 K CA 1.204 57.420 56.287 -0.119 0.000 0.929 192 K CB -0.510 31.890 32.500 -0.167 0.000 0.713 192 K HN 0.408 nan 8.250 nan 0.000 0.439 193 A N 2.201 124.935 122.820 -0.143 0.000 1.997 193 A HA -0.206 4.120 4.320 0.009 0.000 0.221 193 A C 1.656 179.138 177.584 -0.170 0.000 1.172 193 A CA 1.763 53.717 52.037 -0.139 0.000 0.645 193 A CB -0.382 18.534 19.000 -0.140 0.000 0.813 193 A HN 0.349 nan 8.150 nan 0.000 0.454 194 N N -1.674 116.882 118.700 -0.240 0.000 2.230 194 N HA 0.213 4.958 4.740 0.009 0.000 0.202 194 N C 0.927 176.362 175.510 -0.125 0.000 1.119 194 N CA 0.794 53.714 53.050 -0.216 0.000 0.851 194 N CB 0.706 38.977 38.487 -0.361 0.000 0.990 194 N HN 0.640 nan 8.380 nan 0.000 0.497 195 G N 0.917 109.664 108.800 -0.089 0.000 2.157 195 G HA2 -0.222 3.743 3.960 0.009 0.000 0.239 195 G HA3 -0.222 3.743 3.960 0.009 0.000 0.239 195 G C -0.310 174.579 174.900 -0.018 0.000 0.982 195 G CA -0.174 44.895 45.100 -0.052 0.000 0.650 195 G HN 0.114 nan 8.290 nan 0.000 0.527 196 L N 1.477 122.704 121.223 0.006 0.000 2.360 196 L HA 0.828 5.173 4.340 0.009 0.000 0.271 196 L C 0.983 177.952 176.870 0.166 0.000 1.057 196 L CA 0.127 55.001 54.840 0.058 0.000 0.803 196 L CB 1.776 43.868 42.059 0.055 0.000 1.207 196 L HN 0.482 nan 8.230 nan 0.000 0.445 197 S N -0.519 115.217 115.700 0.061 0.000 2.823 197 S HA 0.597 5.073 4.470 0.009 0.000 0.316 197 S C 1.015 175.332 174.600 -0.471 0.000 1.116 197 S CA -0.169 57.968 58.200 -0.104 0.000 0.911 197 S CB 0.774 63.916 63.200 -0.098 0.000 1.276 197 S HN 0.684 nan 8.310 nan 0.000 0.565 198 G N 0.998 109.242 108.800 -0.928 0.000 2.450 198 G HA2 -0.249 3.717 3.960 0.009 0.000 0.220 198 G HA3 -0.249 3.717 3.960 0.009 0.000 0.220 198 G C 1.249 176.021 174.900 -0.213 0.000 1.130 198 G CA 1.156 45.838 45.100 -0.697 0.000 0.760 198 G HN 0.913 nan 8.290 nan 0.000 0.557 199 K N 0.215 120.535 120.400 -0.133 0.000 2.362 199 K HA 0.005 4.331 4.320 0.009 0.000 0.200 199 K C 0.872 177.485 176.600 0.022 0.000 1.046 199 K CA 1.431 57.720 56.287 0.004 0.000 0.952 199 K CB 0.076 32.597 32.500 0.035 0.000 0.753 199 K HN 0.145 nan 8.250 nan 0.000 0.466 200 D N 1.434 121.825 120.400 -0.015 0.000 2.325 200 D HA 0.043 4.688 4.640 0.009 0.000 0.225 200 D C -0.413 175.903 176.300 0.028 0.000 1.096 200 D CA 0.146 54.148 54.000 0.004 0.000 0.844 200 D CB 0.608 41.408 40.800 0.000 0.000 0.925 200 D HN 0.011 nan 8.370 nan 0.000 0.513 201 V N 2.012 121.935 119.914 0.014 0.000 2.384 201 V HA 0.258 4.384 4.120 0.009 0.000 0.287 201 V C -0.180 175.860 176.094 -0.091 0.000 1.020 201 V CA -0.973 61.331 62.300 0.007 0.000 0.850 201 V CB 2.069 33.949 31.823 0.096 0.000 0.987 201 V HN -0.029 nan 8.190 nan 0.000 0.436 202 L N 7.035 128.187 121.223 -0.118 0.000 2.287 202 L HA 0.710 5.055 4.340 0.009 0.000 0.287 202 L C -0.514 176.147 176.870 -0.349 0.000 1.022 202 L CA 0.160 54.867 54.840 -0.222 0.000 0.814 202 L CB 1.594 43.564 42.059 -0.148 0.000 1.217 202 L HN 0.440 nan 8.230 nan 0.000 0.420 203 V N 4.763 124.424 119.914 -0.421 0.000 2.417 203 V HA 0.772 4.897 4.120 0.009 0.000 0.291 203 V C 0.083 176.046 176.094 -0.219 0.000 1.024 203 V CA -0.179 61.904 62.300 -0.362 0.000 0.861 203 V CB 1.068 32.660 31.823 -0.385 0.000 0.985 203 V HN 0.924 nan 8.190 nan 0.000 0.436 204 S N 2.416 118.002 115.700 -0.189 0.000 2.776 204 S HA 0.986 5.462 4.470 0.009 0.000 0.292 204 S C -0.463 174.124 174.600 -0.021 0.000 1.187 204 S CA 0.136 58.264 58.200 -0.120 0.000 0.834 204 S CB 2.047 65.141 63.200 -0.177 0.000 1.199 204 S HN 1.804 nan 8.310 nan 0.000 0.514 205 G N 0.960 109.776 108.800 0.026 0.000 2.312 205 G HA2 0.267 4.233 3.960 0.009 0.000 0.347 205 G HA3 0.267 4.233 3.960 0.009 0.000 0.347 205 G C -1.850 173.123 174.900 0.121 0.000 1.564 205 G CA -0.738 44.394 45.100 0.054 0.000 0.981 205 G HN 0.879 nan 8.290 nan 0.000 0.678 206 H N 1.134 120.182 119.070 -0.037 0.000 2.529 206 H HA 0.798 5.359 4.556 0.009 0.000 0.348 206 H C 0.878 176.227 175.328 0.034 0.000 1.152 206 H CA 0.909 56.944 56.048 -0.022 0.000 1.202 206 H CB 1.877 31.613 29.762 -0.042 0.000 1.562 206 H HN 1.469 nan 8.280 nan 0.000 0.515 207 S N 1.679 117.115 115.700 -0.441 0.000 4.069 207 S HA -0.321 4.155 4.470 0.009 0.000 0.626 207 S C 1.505 176.088 174.600 -0.028 0.000 2.000 207 S CA 1.107 59.227 58.200 -0.133 0.000 4.174 207 S CB -1.300 62.009 63.200 0.182 0.000 0.210 207 S HN 0.651 nan 8.310 nan 0.000 0.602 208 L N 2.773 124.015 121.223 0.032 0.000 2.189 208 L HA 0.098 4.443 4.340 0.009 0.000 0.214 208 L C 2.289 179.112 176.870 -0.079 0.000 1.097 208 L CA 3.050 57.858 54.840 -0.053 0.000 0.764 208 L CB -1.342 40.715 42.059 -0.002 0.000 0.900 208 L HN 0.694 nan 8.230 nan 0.000 0.436 209 G N -1.638 107.175 108.800 0.021 0.000 2.464 209 G HA2 -0.077 3.889 3.960 0.009 0.000 0.217 209 G HA3 -0.077 3.889 3.960 0.009 0.000 0.217 209 G C 1.483 176.408 174.900 0.041 0.000 1.138 209 G CA 0.422 45.571 45.100 0.081 0.000 0.793 209 G HN 0.571 nan 8.290 nan 0.000 0.539 210 G N 1.019 109.812 108.800 -0.010 0.000 2.402 210 G HA2 -0.152 3.814 3.960 0.009 0.000 0.216 210 G HA3 -0.152 3.814 3.960 0.009 0.000 0.216 210 G C 1.722 176.585 174.900 -0.061 0.000 1.162 210 G CA 0.790 45.872 45.100 -0.029 0.000 0.777 210 G HN 0.432 nan 8.290 nan 0.000 0.539 211 L N 0.689 121.849 121.223 -0.106 0.000 2.012 211 L HA 0.007 4.353 4.340 0.009 0.000 0.210 211 L C 3.117 179.869 176.870 -0.195 0.000 1.073 211 L CA 1.911 56.659 54.840 -0.153 0.000 0.748 211 L CB -0.276 41.651 42.059 -0.219 0.000 0.891 211 L HN 0.253 nan 8.230 nan 0.000 0.431 212 A N -0.626 122.033 122.820 -0.268 0.000 1.902 212 A HA -0.158 4.168 4.320 0.009 0.000 0.217 212 A C 2.197 179.510 177.584 -0.452 0.000 1.181 212 A CA 1.865 53.637 52.037 -0.441 0.000 0.623 212 A CB -1.055 17.492 19.000 -0.755 0.000 0.818 212 A HN 0.354 nan 8.150 nan 0.000 0.443 213 V N 1.288 121.113 119.914 -0.147 0.000 2.282 213 V HA -0.345 3.780 4.120 0.009 0.000 0.249 213 V C 2.315 178.430 176.094 0.035 0.000 1.057 213 V CA 2.284 64.641 62.300 0.095 0.000 1.032 213 V CB -1.009 30.893 31.823 0.131 0.000 0.645 213 V HN 0.604 nan 8.190 nan 0.000 0.447 214 N N -0.142 118.533 118.700 -0.041 0.000 2.120 214 N HA -0.161 4.585 4.740 0.009 0.000 0.188 214 N C 2.184 177.647 175.510 -0.078 0.000 1.024 214 N CA 1.734 54.743 53.050 -0.067 0.000 0.852 214 N CB -0.245 38.209 38.487 -0.056 0.000 1.003 214 N HN 0.524 nan 8.380 nan 0.000 0.424 215 S N 1.552 117.209 115.700 -0.072 0.000 2.353 215 S HA -0.147 4.329 4.470 0.009 0.000 0.222 215 S C 2.033 176.645 174.600 0.019 0.000 1.035 215 S CA 1.109 59.290 58.200 -0.031 0.000 1.025 215 S CB -0.217 62.974 63.200 -0.015 0.000 0.902 215 S HN 0.271 nan 8.310 nan 0.000 0.440 216 M N 0.981 120.596 119.600 0.025 0.000 2.108 216 M HA -0.106 4.380 4.480 0.009 0.000 0.261 216 M C 2.160 178.526 176.300 0.111 0.000 1.066 216 M CA 1.859 57.257 55.300 0.163 0.000 1.107 216 M CB -0.606 32.103 32.600 0.183 0.000 1.356 216 M HN 0.489 nan 8.290 nan 0.000 0.406 217 A N 0.420 123.112 122.820 -0.213 0.000 1.873 217 A HA -0.248 4.078 4.320 0.009 0.000 0.218 217 A C 1.727 179.199 177.584 -0.187 0.000 1.193 217 A CA 2.318 54.011 52.037 -0.573 0.000 0.629 217 A CB -1.195 17.348 19.000 -0.762 0.000 0.826 217 A HN 0.590 nan 8.150 nan 0.000 0.447 218 D N -0.315 120.029 120.400 -0.094 0.000 2.182 218 D HA -0.110 4.536 4.640 0.009 0.000 0.201 218 D C 1.678 177.989 176.300 0.018 0.000 0.986 218 D CA 1.138 55.117 54.000 -0.035 0.000 0.847 218 D CB -0.177 40.606 40.800 -0.027 0.000 0.942 218 D HN 0.492 nan 8.370 nan 0.000 0.467 219 L N 0.280 121.555 121.223 0.087 0.000 2.554 219 L HA 0.040 4.386 4.340 0.009 0.000 0.225 219 L C 2.209 179.208 176.870 0.215 0.000 1.104 219 L CA 0.170 55.073 54.840 0.105 0.000 0.866 219 L CB 0.005 42.133 42.059 0.115 0.000 1.047 219 L HN -0.041 nan 8.230 nan 0.000 0.468 220 S N -0.183 115.702 115.700 0.309 0.000 2.423 220 S HA -0.092 4.384 4.470 0.009 0.000 0.231 220 S C 2.040 176.828 174.600 0.312 0.000 1.014 220 S CA 0.940 59.419 58.200 0.466 0.000 0.965 220 S CB -0.678 62.793 63.200 0.451 0.000 0.785 220 S HN 0.407 nan 8.310 nan 0.000 0.495 221 G N 1.192 110.093 108.800 0.168 0.000 2.408 221 G HA2 0.213 4.179 3.960 0.009 0.000 0.217 221 G HA3 0.213 4.179 3.960 0.009 0.000 0.217 221 G C 1.273 176.223 174.900 0.082 0.000 1.150 221 G CA 0.611 45.774 45.100 0.105 0.000 0.776 221 G HN 0.669 nan 8.290 nan 0.000 0.542 222 G N -0.908 107.923 108.800 0.050 0.000 2.781 222 G HA2 0.290 4.255 3.960 0.009 0.000 0.208 222 G HA3 0.290 4.255 3.960 0.009 0.000 0.208 222 G C 0.724 175.586 174.900 -0.064 0.000 1.099 222 G CA -0.170 44.926 45.100 -0.007 0.000 0.776 222 G HN 0.305 nan 8.290 nan 0.000 0.532 223 K N -0.722 119.610 120.400 -0.113 0.000 2.211 223 K HA 0.327 4.653 4.320 0.009 0.000 0.237 223 K C -0.065 176.498 176.600 -0.062 0.000 1.002 223 K CA -1.007 55.047 56.287 -0.389 0.000 0.885 223 K CB 1.156 33.000 32.500 -1.093 0.000 1.136 223 K HN 0.190 nan 8.250 nan 0.000 0.448 224 W N -0.022 121.370 121.300 0.153 0.000 5.400 224 W HA -0.225 4.441 4.660 0.009 0.000 0.357 224 W C 0.653 177.228 176.519 0.094 0.000 1.291 224 W CA 1.084 58.523 57.345 0.156 0.000 0.911 224 W CB -2.469 27.186 29.460 0.325 0.000 2.382 224 W HN 1.093 nan 8.180 nan 0.000 1.557 225 G N -1.092 107.808 108.800 0.168 0.000 2.198 225 G HA2 0.067 4.033 3.960 0.009 0.000 0.260 225 G HA3 0.067 4.033 3.960 0.009 0.000 0.260 225 G C 1.168 176.160 174.900 0.154 0.000 1.025 225 G CA 1.140 46.314 45.100 0.124 0.000 0.769 225 G HN 1.720 nan 8.290 nan 0.000 0.507 226 G N -1.476 107.438 108.800 0.190 0.000 2.175 226 G HA2 -0.289 3.677 3.960 0.009 0.000 0.265 226 G HA3 -0.289 3.677 3.960 0.009 0.000 0.265 226 G C 1.096 176.102 174.900 0.178 0.000 0.979 226 G CA 1.134 46.342 45.100 0.179 0.000 0.663 226 G HN 1.530 nan 8.290 nan 0.000 0.533 227 F N 0.634 120.580 119.950 -0.008 0.000 2.120 227 F HA 0.096 4.629 4.527 0.009 0.000 0.300 227 F C 1.889 177.544 175.800 -0.242 0.000 1.095 227 F CA 2.036 59.901 58.000 -0.225 0.000 1.249 227 F CB -0.218 38.485 39.000 -0.496 0.000 0.995 227 F HN 0.165 nan 8.300 nan 0.000 0.480 228 F N -0.242 119.800 119.950 0.155 0.000 2.645 228 F HA 0.363 4.896 4.527 0.010 0.000 0.300 228 F C 1.881 177.794 175.800 0.187 0.000 1.115 228 F CA 0.291 58.337 58.000 0.077 0.000 1.355 228 F CB -1.238 37.885 39.000 0.204 0.000 1.026 228 F HN 0.027 nan 8.300 nan 0.000 0.536 229 A N -0.430 122.534 122.820 0.240 0.000 2.015 229 A HA -0.122 4.203 4.320 0.009 0.000 0.219 229 A C 1.558 179.264 177.584 0.203 0.000 1.163 229 A CA 1.610 53.776 52.037 0.216 0.000 0.646 229 A CB -0.277 18.801 19.000 0.130 0.000 0.806 229 A HN 0.200 nan 8.150 nan 0.000 0.448 230 D N -0.462 120.020 120.400 0.138 0.000 2.462 230 D HA 0.205 4.851 4.640 0.009 0.000 0.221 230 D C 0.049 176.437 176.300 0.147 0.000 1.173 230 D CA 0.059 54.130 54.000 0.118 0.000 0.831 230 D CB 0.373 41.187 40.800 0.024 0.000 1.001 230 D HN 0.181 nan 8.370 nan 0.000 0.499 231 S N 0.975 116.792 115.700 0.196 0.000 2.596 231 S HA 0.148 4.623 4.470 0.009 0.000 0.260 231 S C 0.527 175.152 174.600 0.041 0.000 1.336 231 S CA -0.251 57.971 58.200 0.037 0.000 0.993 231 S CB 0.614 63.756 63.200 -0.097 0.000 0.923 231 S HN 0.155 nan 8.310 nan 0.000 0.567 232 N N 1.281 119.909 118.700 -0.119 0.000 2.422 232 N HA 0.287 5.033 4.740 0.009 0.000 0.266 232 N C -1.614 173.698 175.510 -0.330 0.000 1.007 232 N CA 0.018 53.079 53.050 0.018 0.000 0.941 232 N CB 0.793 39.305 38.487 0.042 0.000 1.115 232 N HN 0.473 nan 8.380 nan 0.000 0.492 233 Y N 1.926 122.226 120.300 -0.000 0.000 2.376 233 Y HA 0.474 5.029 4.550 0.009 0.000 0.326 233 Y C 0.119 175.885 175.900 -0.223 0.000 0.970 233 Y CA -0.580 57.484 58.100 -0.060 0.000 1.248 233 Y CB 1.193 39.700 38.460 0.079 0.000 1.117 233 Y HN 0.301 nan 8.280 nan 0.000 0.476 234 I N 3.619 124.068 120.570 -0.202 0.000 2.437 234 I HA 0.568 4.743 4.170 0.009 0.000 0.279 234 I C -0.312 175.554 176.117 -0.418 0.000 1.028 234 I CA -0.735 60.350 61.300 -0.359 0.000 1.142 234 I CB 1.125 38.824 38.000 -0.502 0.000 1.266 234 I HN 0.618 nan 8.210 nan 0.000 0.461 235 A N 6.304 128.931 122.820 -0.323 0.000 2.305 235 A HA 0.723 5.048 4.320 0.009 0.000 0.322 235 A C -1.324 176.003 177.584 -0.428 0.000 1.187 235 A CA -0.234 51.639 52.037 -0.272 0.000 0.825 235 A CB 0.427 19.384 19.000 -0.073 0.000 1.164 235 A HN 0.561 nan 8.150 nan 0.000 0.498 236 Y N 1.126 121.349 120.300 -0.130 0.000 2.331 236 Y HA 0.467 5.022 4.550 0.009 0.000 0.338 236 Y C 0.996 176.693 175.900 -0.338 0.000 0.992 236 Y CA 0.227 58.185 58.100 -0.237 0.000 1.121 236 Y CB 1.708 39.988 38.460 -0.300 0.000 1.184 236 Y HN 1.283 nan 8.280 nan 0.000 0.469 237 A N 2.017 124.744 122.820 -0.155 0.000 2.822 237 A HA -0.225 4.101 4.320 0.009 0.000 0.287 237 A C 0.613 178.246 177.584 0.080 0.000 1.479 237 A CA 0.826 52.824 52.037 -0.064 0.000 0.779 237 A CB -1.825 16.893 19.000 -0.470 0.000 1.022 237 A HN 0.594 nan 8.150 nan 0.000 0.532 238 S N 0.178 115.987 115.700 0.181 0.000 2.528 238 S HA 0.483 4.958 4.470 0.009 0.000 0.277 238 S C -0.244 174.393 174.600 0.062 0.000 1.297 238 S CA -0.757 57.489 58.200 0.077 0.000 1.052 238 S CB 0.742 63.970 63.200 0.047 0.000 0.917 238 S HN 0.415 nan 8.310 nan 0.000 0.492 239 P HA 0.043 nan 4.420 nan 0.000 0.229 239 P C 0.495 177.718 177.300 -0.129 0.000 1.160 239 P CA 0.639 63.674 63.100 -0.109 0.000 0.777 239 P CB -0.240 31.385 31.700 -0.125 0.000 0.814 240 T N -2.913 111.587 114.554 -0.090 0.000 2.940 240 T HA 0.653 5.008 4.350 0.009 0.000 0.288 240 T C -0.699 173.963 174.700 -0.064 0.000 1.045 240 T CA -0.691 61.358 62.100 -0.086 0.000 1.018 240 T CB 1.681 70.507 68.868 -0.071 0.000 1.151 240 T HN -0.192 nan 8.240 nan 0.000 0.529 241 Q N 1.043 120.808 119.800 -0.059 0.000 2.285 241 Q HA 0.550 4.896 4.340 0.009 0.000 0.269 241 Q C -0.283 175.694 176.000 -0.039 0.000 1.030 241 Q CA -0.675 55.104 55.803 -0.039 0.000 0.788 241 Q CB 2.078 30.792 28.738 -0.040 0.000 1.266 241 Q HN 0.946 nan 8.270 nan 0.000 0.438 242 S N 0.700 116.376 115.700 -0.040 0.000 2.576 242 S HA 0.112 4.587 4.470 0.009 0.000 0.272 242 S C 0.454 175.031 174.600 -0.038 0.000 1.352 242 S CA -0.209 57.962 58.200 -0.048 0.000 1.021 242 S CB 0.816 63.971 63.200 -0.076 0.000 0.887 242 S HN 0.528 nan 8.310 nan 0.000 0.542 243 S N 1.069 116.748 115.700 -0.036 0.000 2.607 243 S HA 0.115 4.591 4.470 0.009 0.000 0.224 243 S C 0.983 175.566 174.600 -0.028 0.000 0.969 243 S CA 0.464 58.647 58.200 -0.028 0.000 0.927 243 S CB -0.704 62.482 63.200 -0.023 0.000 0.772 243 S HN 0.980 nan 8.310 nan 0.000 0.533 244 T N -0.007 114.524 114.554 -0.039 0.000 2.910 244 T HA 0.337 4.693 4.350 0.009 0.000 0.279 244 T C 0.151 174.834 174.700 -0.028 0.000 0.989 244 T CA -0.570 61.507 62.100 -0.039 0.000 0.968 244 T CB 1.136 69.966 68.868 -0.065 0.000 1.135 244 T HN 0.093 nan 8.240 nan 0.000 0.562 245 D N -1.377 119.009 120.400 -0.023 0.000 2.388 245 D HA 0.153 4.799 4.640 0.009 0.000 0.221 245 D C 0.900 177.199 176.300 -0.001 0.000 1.133 245 D CA -0.326 53.666 54.000 -0.014 0.000 0.831 245 D CB -0.047 40.739 40.800 -0.025 0.000 0.962 245 D HN 0.665 nan 8.370 nan 0.000 0.502 246 K N -0.256 120.146 120.400 0.004 0.000 2.400 246 K HA 0.150 4.475 4.320 0.009 0.000 0.194 246 K C 0.109 176.850 176.600 0.235 0.000 1.033 246 K CA 0.232 56.564 56.287 0.074 0.000 1.021 246 K CB 1.024 33.497 32.500 -0.046 0.000 0.808 246 K HN 0.021 nan 8.250 nan 0.000 0.505 247 V N 2.399 122.410 119.914 0.160 0.000 2.417 247 V HA 0.182 4.307 4.120 0.009 0.000 0.291 247 V C -0.735 175.511 176.094 0.253 0.000 1.024 247 V CA -1.077 61.354 62.300 0.219 0.000 0.861 247 V CB 1.567 33.432 31.823 0.070 0.000 0.985 247 V HN 0.051 nan 8.190 nan 0.000 0.436 248 L N 5.132 126.539 121.223 0.307 0.000 2.283 248 L HA 0.435 4.781 4.340 0.009 0.000 0.287 248 L C 0.046 176.981 176.870 0.107 0.000 1.073 248 L CA 0.196 55.183 54.840 0.244 0.000 0.822 248 L CB 0.098 42.325 42.059 0.278 0.000 1.186 248 L HN 0.651 nan 8.230 nan 0.000 0.436 249 N N 3.967 122.760 118.700 0.155 0.000 2.558 249 N HA 0.338 5.083 4.740 0.009 0.000 0.233 249 N C -1.020 174.653 175.510 0.271 0.000 1.038 249 N CA -0.367 52.794 53.050 0.185 0.000 0.934 249 N CB 1.092 39.721 38.487 0.237 0.000 1.175 249 N HN 0.390 nan 8.380 nan 0.000 0.512 250 V N 1.371 121.326 119.914 0.067 0.000 2.465 250 V HA 0.827 4.953 4.120 0.009 0.000 0.279 250 V C 0.872 176.809 176.094 -0.262 0.000 1.045 250 V CA -0.441 61.889 62.300 0.050 0.000 0.938 250 V CB 1.122 32.988 31.823 0.071 0.000 0.986 250 V HN 0.711 nan 8.190 nan 0.000 0.467 251 G N 2.819 111.199 108.800 -0.700 0.000 2.601 251 G HA2 0.524 4.489 3.960 0.009 0.000 0.291 251 G HA3 0.524 4.489 3.960 0.009 0.000 0.291 251 G C -2.002 172.476 174.900 -0.703 0.000 1.456 251 G CA -0.668 43.682 45.100 -1.250 0.000 0.804 251 G HN 0.321 nan 8.290 nan 0.000 0.499 252 Y N 0.939 121.080 120.300 -0.265 0.000 2.319 252 Y HA 0.248 4.804 4.550 0.011 0.000 0.328 252 Y C 1.985 177.978 175.900 0.155 0.000 1.133 252 Y CA -0.170 57.873 58.100 -0.095 0.000 1.265 252 Y CB 1.595 39.948 38.460 -0.179 0.000 1.218 252 Y HN 0.837 nan 8.280 nan 0.000 0.508 253 E N 0.604 121.015 120.200 0.353 0.000 2.268 253 E HA -0.190 4.165 4.350 0.009 0.000 0.195 253 E C 0.615 177.362 176.600 0.246 0.000 0.995 253 E CA 1.282 57.893 56.400 0.353 0.000 0.836 253 E CB -0.123 29.732 29.700 0.258 0.000 0.763 253 E HN 0.698 nan 8.360 nan 0.000 0.491 254 N N 1.255 120.080 118.700 0.208 0.000 2.322 254 N HA -0.073 4.673 4.740 0.009 0.000 0.194 254 N C -0.358 175.398 175.510 0.410 0.000 1.126 254 N CA 0.136 53.326 53.050 0.233 0.000 0.845 254 N CB 0.065 38.664 38.487 0.186 0.000 0.976 254 N HN 0.067 nan 8.380 nan 0.000 0.475 255 D N 2.517 123.146 120.400 0.381 0.000 2.352 255 D HA 0.142 4.788 4.640 0.009 0.000 0.245 255 D C -1.386 175.087 176.300 0.288 0.000 1.224 255 D CA -2.197 51.999 54.000 0.327 0.000 0.879 255 D CB 1.554 42.623 40.800 0.448 0.000 1.057 255 D HN 0.028 nan 8.370 nan 0.000 0.491 256 P HA -0.148 nan 4.420 nan 0.000 0.221 256 P C 1.449 178.726 177.300 -0.039 0.000 1.145 256 P CA 0.429 63.470 63.100 -0.099 0.000 0.795 256 P CB 0.404 31.758 31.700 -0.575 0.000 0.775 257 V N -0.640 119.068 119.914 -0.343 0.000 2.453 257 V HA -0.121 4.005 4.120 0.009 0.000 0.247 257 V C 1.471 177.551 176.094 -0.023 0.000 1.048 257 V CA 0.590 62.659 62.300 -0.384 0.000 1.049 257 V CB -1.322 29.947 31.823 -0.923 0.000 0.672 257 V HN -0.011 nan 8.190 nan 0.000 0.457 258 F N 2.522 122.487 119.950 0.025 0.000 2.538 258 F HA 0.275 4.807 4.527 0.009 0.000 0.382 258 F C 1.262 177.156 175.800 0.157 0.000 1.069 258 F CA -0.450 57.617 58.000 0.111 0.000 1.138 258 F CB -0.791 38.335 39.000 0.210 0.000 1.068 258 F HN 0.195 nan 8.300 nan 0.000 0.556 259 R N 2.174 122.462 120.500 -0.353 0.000 3.936 259 R HA -0.239 4.106 4.340 0.009 0.000 0.366 259 R C 1.291 177.308 176.300 -0.472 0.000 1.158 259 R CA 0.559 56.412 56.100 -0.412 0.000 0.969 259 R CB -2.257 27.743 30.300 -0.500 0.000 1.504 259 R HN 0.666 nan 8.270 nan 0.000 0.538 260 A N 0.873 123.326 122.820 -0.612 0.000 1.927 260 A HA -0.072 4.254 4.320 0.009 0.000 0.220 260 A C 1.127 178.364 177.584 -0.579 0.000 1.185 260 A CA 1.303 52.761 52.037 -0.966 0.000 0.639 260 A CB -0.123 18.589 19.000 -0.480 0.000 0.820 260 A HN 0.294 nan 8.150 nan 0.000 0.451 261 L N -1.013 120.001 121.223 -0.349 0.000 2.352 261 L HA 0.500 4.846 4.340 0.009 0.000 0.269 261 L C -0.677 176.078 176.870 -0.191 0.000 1.034 261 L CA -0.833 53.865 54.840 -0.236 0.000 0.806 261 L CB 1.148 43.115 42.059 -0.153 0.000 1.244 261 L HN 0.103 nan 8.230 nan 0.000 0.447 262 D N 0.195 120.511 120.400 -0.140 0.000 2.440 262 D HA 0.269 4.915 4.640 0.009 0.000 0.239 262 D C 0.964 177.223 176.300 -0.067 0.000 1.084 262 D CA -0.443 53.496 54.000 -0.101 0.000 0.843 262 D CB 2.022 42.769 40.800 -0.089 0.000 1.097 262 D HN 0.601 nan 8.370 nan 0.000 0.531 263 G N 2.080 110.844 108.800 -0.060 0.000 2.564 263 G HA2 -0.175 3.791 3.960 0.009 0.000 0.217 263 G HA3 -0.175 3.791 3.960 0.009 0.000 0.217 263 G C 1.011 175.875 174.900 -0.059 0.000 1.120 263 G CA 0.507 45.568 45.100 -0.065 0.000 0.752 263 G HN 0.450 nan 8.290 nan 0.000 0.558 264 S N -1.413 114.259 115.700 -0.046 0.000 2.817 264 S HA 0.197 4.673 4.470 0.009 0.000 0.262 264 S C 0.453 175.035 174.600 -0.031 0.000 1.051 264 S CA -0.308 57.869 58.200 -0.038 0.000 1.185 264 S CB 0.538 63.730 63.200 -0.013 0.000 1.152 264 S HN 0.227 nan 8.310 nan 0.000 0.653 265 T N 1.959 116.494 114.554 -0.031 0.000 2.771 265 T HA 0.381 4.737 4.350 0.009 0.000 0.291 265 T C -0.668 174.022 174.700 -0.016 0.000 0.954 265 T CA -0.200 61.898 62.100 -0.004 0.000 1.045 265 T CB 0.449 69.317 68.868 0.000 0.000 0.917 265 T HN 0.271 nan 8.240 nan 0.000 0.484 266 F N 4.708 124.579 119.950 -0.133 0.000 2.472 266 F HA 0.389 4.922 4.527 0.010 0.000 0.364 266 F C 0.957 176.727 175.800 -0.051 0.000 1.090 266 F CA -0.251 57.661 58.000 -0.147 0.000 1.188 266 F CB 0.301 39.146 39.000 -0.259 0.000 1.105 266 F HN 0.649 nan 8.300 nan 0.000 0.536 267 T N 1.510 115.751 114.554 -0.520 0.000 2.807 267 T HA 0.485 4.841 4.350 0.009 0.000 0.277 267 T C 1.217 175.643 174.700 -0.457 0.000 1.006 267 T CA -0.337 61.573 62.100 -0.318 0.000 1.006 267 T CB 1.033 69.798 68.868 -0.172 0.000 1.274 267 T HN 0.568 nan 8.240 nan 0.000 0.569 268 G N 0.103 108.800 108.800 -0.171 0.000 2.469 268 G HA2 -0.057 3.909 3.960 0.009 0.000 0.220 268 G HA3 -0.057 3.909 3.960 0.009 0.000 0.220 268 G C 1.648 176.486 174.900 -0.103 0.000 1.136 268 G CA 0.913 45.956 45.100 -0.094 0.000 0.759 268 G HN 1.150 nan 8.290 nan 0.000 0.562 269 A N 0.438 123.199 122.820 -0.098 0.000 2.119 269 A HA 0.160 4.486 4.320 0.009 0.000 0.217 269 A C 2.608 180.204 177.584 0.021 0.000 1.153 269 A CA 1.809 53.841 52.037 -0.008 0.000 0.692 269 A CB -0.346 18.669 19.000 0.024 0.000 0.799 269 A HN 0.284 nan 8.150 nan 0.000 0.458 270 S N -0.306 115.247 115.700 -0.244 0.000 2.400 270 S HA -0.151 4.325 4.470 0.009 0.000 0.232 270 S C 1.664 176.233 174.600 -0.052 0.000 1.025 270 S CA 1.702 59.699 58.200 -0.338 0.000 0.993 270 S CB -0.447 62.227 63.200 -0.877 0.000 0.808 270 S HN 0.937 nan 8.310 nan 0.000 0.478 271 V N -1.572 118.335 119.914 -0.013 0.000 3.596 271 V HA 0.573 4.699 4.120 0.009 0.000 0.289 271 V C 0.807 176.986 176.094 0.142 0.000 1.336 271 V CA 0.402 62.774 62.300 0.120 0.000 1.137 271 V CB -0.280 31.648 31.823 0.174 0.000 0.966 271 V HN 0.316 nan 8.190 nan 0.000 0.428 272 G N -0.048 108.861 108.800 0.181 0.000 3.340 272 G HA2 0.516 4.481 3.960 0.009 0.000 0.176 272 G HA3 0.516 4.481 3.960 0.009 0.000 0.176 272 G C -0.771 174.293 174.900 0.274 0.000 1.103 272 G CA -0.281 44.949 45.100 0.216 0.000 0.779 272 G HN 0.095 nan 8.290 nan 0.000 0.673 273 V N 1.770 121.784 119.914 0.166 0.000 2.432 273 V HA 0.387 4.513 4.120 0.009 0.000 0.271 273 V C -0.594 175.466 176.094 -0.056 0.000 1.046 273 V CA -0.288 61.984 62.300 -0.046 0.000 0.945 273 V CB 0.510 32.267 31.823 -0.111 0.000 0.992 273 V HN 0.790 nan 8.190 nan 0.000 0.471 274 H N 0.372 119.478 119.070 0.060 0.000 2.379 274 H HA 0.470 5.032 4.556 0.011 0.000 0.229 274 H C -0.262 175.052 175.328 -0.025 0.000 1.423 274 H CA -0.739 55.306 56.048 -0.006 0.000 1.375 274 H CB 0.119 29.858 29.762 -0.038 0.000 1.592 274 H HN 0.485 nan 8.280 nan 0.000 0.507 275 D N 1.298 121.698 120.400 -0.001 0.000 2.424 275 D HA 0.262 4.907 4.640 0.009 0.000 0.220 275 D C 0.632 176.946 176.300 0.024 0.000 1.150 275 D CA -0.217 53.785 54.000 0.005 0.000 0.831 275 D CB -0.003 40.781 40.800 -0.026 0.000 0.981 275 D HN 0.696 nan 8.370 nan 0.000 0.500 276 A N 1.155 123.987 122.820 0.020 0.000 2.531 276 A HA 0.341 4.667 4.320 0.009 0.000 0.236 276 A C -2.125 175.468 177.584 0.014 0.000 1.062 276 A CA -0.758 51.288 52.037 0.015 0.000 0.760 276 A CB -0.099 18.904 19.000 0.005 0.000 0.995 276 A HN 0.164 nan 8.150 nan 0.000 0.501 277 P HA 0.204 nan 4.420 nan 0.000 0.266 277 P C -0.677 176.629 177.300 0.011 0.000 1.195 277 P CA 0.402 63.519 63.100 0.029 0.000 0.768 277 P CB 0.382 32.101 31.700 0.033 0.000 0.838 278 K N 2.004 122.412 120.400 0.013 0.000 2.507 278 K HA 0.128 4.454 4.320 0.009 0.000 0.251 278 K C 0.801 177.415 176.600 0.024 0.000 0.943 278 K CA -0.615 55.672 56.287 0.000 0.000 0.794 278 K CB 1.937 34.416 32.500 -0.036 0.000 1.188 278 K HN 0.342 nan 8.250 nan 0.000 0.428 279 E N 1.268 121.479 120.200 0.018 0.000 2.118 279 E HA -0.170 4.186 4.350 0.009 0.000 0.195 279 E C 1.184 177.812 176.600 0.047 0.000 0.992 279 E CA 2.014 58.430 56.400 0.026 0.000 0.804 279 E CB 0.255 29.962 29.700 0.013 0.000 0.741 279 E HN 0.642 nan 8.360 nan 0.000 0.458 280 S N -0.810 114.921 115.700 0.051 0.000 2.562 280 S HA 0.296 4.772 4.470 0.009 0.000 0.221 280 S C 0.646 175.323 174.600 0.128 0.000 0.975 280 S CA 0.169 58.417 58.200 0.080 0.000 0.918 280 S CB 0.342 63.580 63.200 0.063 0.000 0.772 280 S HN 0.307 nan 8.310 nan 0.000 0.531 281 A N 1.883 124.782 122.820 0.132 0.000 2.356 281 A HA 0.669 4.995 4.320 0.009 0.000 0.323 281 A C 0.181 177.909 177.584 0.240 0.000 1.119 281 A CA -0.527 51.645 52.037 0.225 0.000 0.790 281 A CB 0.928 20.048 19.000 0.200 0.000 1.273 281 A HN 0.440 nan 8.150 nan 0.000 0.452 282 T N -0.284 114.467 114.554 0.328 0.000 2.775 282 T HA 0.221 4.577 4.350 0.009 0.000 0.287 282 T C -0.249 174.639 174.700 0.314 0.000 0.909 282 T CA -0.253 62.001 62.100 0.258 0.000 1.081 282 T CB 0.181 69.191 68.868 0.237 0.000 0.891 282 T HN 0.487 nan 8.240 nan 0.000 0.544 283 D N 2.794 123.322 120.400 0.212 0.000 2.323 283 D HA -0.021 4.624 4.640 0.009 0.000 0.209 283 D C 0.609 177.030 176.300 0.201 0.000 0.973 283 D CA 0.451 54.578 54.000 0.213 0.000 0.874 283 D CB 0.292 41.173 40.800 0.135 0.000 0.930 283 D HN 0.597 nan 8.370 nan 0.000 0.521 284 N N 0.578 119.360 118.700 0.136 0.000 2.451 284 N HA 0.181 4.927 4.740 0.009 0.000 0.271 284 N C -0.260 175.256 175.510 0.011 0.000 1.410 284 N CA -0.069 53.012 53.050 0.052 0.000 0.884 284 N CB 1.580 40.039 38.487 -0.046 0.000 1.332 284 N HN 0.138 nan 8.380 nan 0.000 0.498 285 I N 1.164 121.791 120.570 0.095 0.000 2.315 285 I HA 0.250 4.425 4.170 0.009 0.000 0.291 285 I C 0.075 176.305 176.117 0.190 0.000 1.006 285 I CA -0.752 60.618 61.300 0.117 0.000 1.265 285 I CB 1.371 39.437 38.000 0.110 0.000 1.387 285 I HN -0.325 nan 8.210 nan 0.000 0.475 286 V N 5.070 125.051 119.914 0.111 0.000 2.427 286 V HA 0.189 4.314 4.120 0.009 0.000 0.286 286 V C 0.428 176.426 176.094 -0.159 0.000 1.034 286 V CA -0.474 61.789 62.300 -0.061 0.000 0.893 286 V CB 1.718 33.433 31.823 -0.179 0.000 0.982 286 V HN 0.796 nan 8.190 nan 0.000 0.452 287 S N 5.196 120.575 115.700 -0.535 0.000 2.411 287 S HA 0.324 4.800 4.470 0.009 0.000 0.304 287 S C -0.415 173.923 174.600 -0.437 0.000 1.098 287 S CA -0.475 57.256 58.200 -0.781 0.000 1.068 287 S CB -0.456 61.883 63.200 -1.435 0.000 1.032 287 S HN 0.537 nan 8.310 nan 0.000 0.511 288 F N 7.177 126.948 119.950 -0.298 0.000 2.619 288 F HA 0.275 4.804 4.527 0.004 0.000 0.350 288 F C 0.485 176.309 175.800 0.040 0.000 1.259 288 F CA -0.594 57.357 58.000 -0.081 0.000 1.204 288 F CB -0.273 38.751 39.000 0.040 0.000 1.556 288 F HN 0.702 nan 8.300 nan 0.000 0.650 289 N N 0.781 119.442 118.700 -0.064 0.000 2.563 289 N HA 0.211 4.957 4.740 0.009 0.000 0.288 289 N C 0.473 176.027 175.510 0.074 0.000 1.246 289 N CA -0.701 52.380 53.050 0.052 0.000 0.946 289 N CB 0.395 38.811 38.487 -0.118 0.000 1.213 289 N HN 0.095 nan 8.380 nan 0.000 0.578 290 D N -1.505 119.049 120.400 0.258 0.000 2.149 290 D HA -0.204 4.441 4.640 0.009 0.000 0.198 290 D C 1.362 177.812 176.300 0.251 0.000 0.990 290 D CA 1.286 55.453 54.000 0.279 0.000 0.839 290 D CB -0.390 40.682 40.800 0.453 0.000 0.948 290 D HN 0.636 nan 8.370 nan 0.000 0.460 291 H N -0.478 118.618 119.070 0.043 0.000 2.293 291 H HA -0.194 4.369 4.556 0.013 0.000 0.300 291 H C 2.034 177.404 175.328 0.071 0.000 1.082 291 H CA 1.496 57.549 56.048 0.009 0.000 1.308 291 H CB -0.569 29.025 29.762 -0.281 0.000 1.375 291 H HN 0.201 nan 8.280 nan 0.000 0.495 292 Y N 1.152 121.449 120.300 -0.004 0.000 2.151 292 Y HA -0.257 4.302 4.550 0.014 0.000 0.284 292 Y C 2.759 178.483 175.900 -0.294 0.000 1.166 292 Y CA 2.149 60.170 58.100 -0.131 0.000 1.163 292 Y CB -0.693 37.617 38.460 -0.249 0.000 0.974 292 Y HN 0.318 nan 8.280 nan 0.000 0.511 293 A N -0.907 121.689 122.820 -0.375 0.000 2.019 293 A HA -0.078 4.247 4.320 0.009 0.000 0.219 293 A C 1.566 179.099 177.584 -0.084 0.000 1.164 293 A CA 1.071 52.919 52.037 -0.314 0.000 0.644 293 A CB -0.888 18.030 19.000 -0.137 0.000 0.805 293 A HN 0.350 nan 8.150 nan 0.000 0.449 294 S N -0.477 115.210 115.700 -0.022 0.000 2.465 294 S HA 0.294 4.770 4.470 0.009 0.000 0.279 294 S C 1.111 175.718 174.600 0.011 0.000 1.201 294 S CA 0.161 58.404 58.200 0.071 0.000 1.053 294 S CB 0.574 63.937 63.200 0.272 0.000 0.953 294 S HN 0.397 nan 8.310 nan 0.000 0.488 295 T N 5.291 119.848 114.554 0.004 0.000 2.746 295 T HA -0.093 4.263 4.350 0.009 0.000 0.267 295 T C 2.142 176.833 174.700 -0.015 0.000 1.039 295 T CA 1.664 63.758 62.100 -0.010 0.000 1.142 295 T CB -0.560 68.308 68.868 -0.001 0.000 0.866 295 T HN 0.812 nan 8.240 nan 0.000 0.444 296 A N 0.498 123.288 122.820 -0.050 0.000 1.877 296 A HA -0.105 4.221 4.320 0.009 0.000 0.216 296 A C 2.099 179.624 177.584 -0.098 0.000 1.186 296 A CA 1.414 53.378 52.037 -0.121 0.000 0.620 296 A CB -1.254 17.605 19.000 -0.236 0.000 0.822 296 A HN 0.693 nan 8.150 nan 0.000 0.443 297 W N 0.021 121.287 121.300 -0.057 0.000 2.342 297 W HA -0.164 4.502 4.660 0.010 0.000 0.297 297 W C 1.724 178.204 176.519 -0.065 0.000 1.213 297 W CA 1.316 58.614 57.345 -0.079 0.000 1.251 297 W CB -0.282 29.001 29.460 -0.294 0.000 1.136 297 W HN 0.401 nan 8.180 nan 0.000 0.526 298 N N -0.015 118.761 118.700 0.128 0.000 2.461 298 N HA 0.016 4.762 4.740 0.009 0.000 0.188 298 N C 1.388 176.960 175.510 0.103 0.000 1.134 298 N CA 0.324 53.437 53.050 0.105 0.000 0.878 298 N CB -0.238 38.253 38.487 0.007 0.000 0.972 298 N HN 0.108 nan 8.380 nan 0.000 0.456 299 L N 0.106 121.381 121.223 0.088 0.000 2.131 299 L HA -0.064 4.281 4.340 0.009 0.000 0.210 299 L C 0.548 177.484 176.870 0.110 0.000 1.092 299 L CA 0.707 55.590 54.840 0.072 0.000 0.759 299 L CB -0.361 41.719 42.059 0.035 0.000 0.903 299 L HN 0.201 nan 8.230 nan 0.000 0.435 300 L N 0.458 121.782 121.223 0.169 0.000 2.395 300 L HA 0.237 4.583 4.340 0.009 0.000 0.269 300 L C -2.036 174.960 176.870 0.211 0.000 1.133 300 L CA -2.025 52.934 54.840 0.198 0.000 0.812 300 L CB 0.076 42.303 42.059 0.279 0.000 1.125 300 L HN -0.167 nan 8.230 nan 0.000 0.452 301 P HA 0.058 nan 4.420 nan 0.000 0.275 301 P C -0.732 176.713 177.300 0.242 0.000 1.227 301 P CA -0.314 62.903 63.100 0.195 0.000 0.781 301 P CB 0.364 32.154 31.700 0.150 0.000 0.906 302 F N 2.735 122.757 119.950 0.120 0.000 2.541 302 F HA 0.354 4.886 4.527 0.009 0.000 0.378 302 F C 0.348 176.204 175.800 0.094 0.000 1.068 302 F CA 1.050 59.119 58.000 0.116 0.000 1.199 302 F CB 0.242 39.292 39.000 0.084 0.000 1.091 302 F HN 0.245 nan 8.300 nan 0.000 0.555 303 S N 6.214 121.695 115.700 -0.364 0.000 2.548 303 S HA 0.228 4.704 4.470 0.009 0.000 0.278 303 S C 0.522 174.991 174.600 -0.219 0.000 1.150 303 S CA -0.852 57.245 58.200 -0.172 0.000 0.907 303 S CB 0.911 64.131 63.200 0.034 0.000 1.108 303 S HN 0.860 nan 8.310 nan 0.000 0.459 304 I N 4.034 124.540 120.570 -0.108 0.000 2.479 304 I HA -0.166 4.009 4.170 0.009 0.000 0.258 304 I C 1.091 177.410 176.117 0.337 0.000 1.165 304 I CA 1.553 62.883 61.300 0.050 0.000 1.422 304 I CB 0.026 38.062 38.000 0.060 0.000 1.087 304 I HN 0.736 nan 8.210 nan 0.000 0.441 305 L N 0.018 121.355 121.223 0.189 0.000 2.591 305 L HA 0.039 4.385 4.340 0.009 0.000 0.228 305 L C 0.628 177.569 176.870 0.119 0.000 1.133 305 L CA -0.018 54.920 54.840 0.163 0.000 0.880 305 L CB -0.585 41.552 42.059 0.130 0.000 1.033 305 L HN 0.226 nan 8.230 nan 0.000 0.450 306 N N 0.756 119.530 118.700 0.123 0.000 2.527 306 N HA 0.126 4.872 4.740 0.009 0.000 0.236 306 N C 0.907 176.495 175.510 0.130 0.000 0.999 306 N CA -0.265 52.849 53.050 0.106 0.000 0.935 306 N CB 0.756 39.300 38.487 0.095 0.000 1.132 306 N HN -0.112 nan 8.380 nan 0.000 0.511 307 I N 4.394 124.982 120.570 0.030 0.000 2.286 307 I HA -0.077 4.098 4.170 0.009 0.000 0.248 307 I C -0.744 175.405 176.117 0.053 0.000 1.115 307 I CA 0.444 61.680 61.300 -0.107 0.000 1.392 307 I CB -2.092 35.766 38.000 -0.236 0.000 1.065 307 I HN 0.453 nan 8.210 nan 0.000 0.418 308 P HA -0.148 nan 4.420 nan 0.000 0.218 308 P C 1.688 178.876 177.300 -0.186 0.000 1.146 308 P CA 1.879 64.967 63.100 -0.020 0.000 0.813 308 P CB -0.305 31.226 31.700 -0.281 0.000 0.778 309 T N -5.975 108.460 114.554 -0.197 0.000 3.007 309 T HA -0.147 4.209 4.350 0.009 0.000 0.270 309 T C 1.329 175.884 174.700 -0.242 0.000 1.107 309 T CA 0.403 62.228 62.100 -0.457 0.000 1.118 309 T CB -1.170 67.441 68.868 -0.428 0.000 0.889 309 T HN 0.069 nan 8.240 nan 0.000 0.506 310 W N 1.144 122.284 121.300 -0.266 0.000 2.538 310 W HA 0.295 4.960 4.660 0.008 0.000 0.254 310 W C 1.974 178.373 176.519 -0.200 0.000 1.249 310 W CA -0.904 56.344 57.345 -0.162 0.000 1.253 310 W CB -0.672 28.716 29.460 -0.120 0.000 1.130 310 W HN 0.274 nan 8.180 nan 0.000 0.618 311 I N 0.181 120.647 120.570 -0.173 0.000 2.194 311 I HA -0.386 3.789 4.170 0.009 0.000 0.246 311 I C 1.833 177.775 176.117 -0.293 0.000 1.093 311 I CA 1.718 62.772 61.300 -0.410 0.000 1.355 311 I CB -0.200 37.280 38.000 -0.868 0.000 1.046 311 I HN -0.229 nan 8.210 nan 0.000 0.413 312 S N -0.840 114.733 115.700 -0.212 0.000 2.555 312 S HA -0.182 4.293 4.470 0.009 0.000 0.230 312 S C 1.545 176.225 174.600 0.134 0.000 0.978 312 S CA 0.714 58.842 58.200 -0.121 0.000 0.934 312 S CB -0.439 62.716 63.200 -0.074 0.000 0.766 312 S HN 0.621 nan 8.310 nan 0.000 0.533 313 H N 0.789 119.879 119.070 0.034 0.000 2.562 313 H HA 0.352 4.914 4.556 0.009 0.000 0.267 313 H C 0.343 175.860 175.328 0.316 0.000 0.959 313 H CA -0.030 56.140 56.048 0.204 0.000 1.204 313 H CB -0.038 29.677 29.762 -0.077 0.000 1.430 313 H HN 0.228 nan 8.280 nan 0.000 0.545 314 L N 2.384 123.639 121.223 0.054 0.000 2.453 314 L HA 0.096 4.442 4.340 0.009 0.000 0.272 314 L C -1.087 175.711 176.870 -0.120 0.000 1.182 314 L CA -1.442 53.305 54.840 -0.156 0.000 0.858 314 L CB 0.875 42.781 42.059 -0.256 0.000 1.120 314 L HN 0.210 nan 8.230 nan 0.000 0.474 315 P HA -0.100 nan 4.420 nan 0.000 0.217 315 P C 1.426 178.645 177.300 -0.135 0.000 1.150 315 P CA 1.084 63.907 63.100 -0.462 0.000 0.832 315 P CB 0.094 31.364 31.700 -0.717 0.000 0.787 316 T N 0.014 114.506 114.554 -0.103 0.000 2.720 316 T HA -0.115 4.241 4.350 0.009 0.000 0.268 316 T C 1.949 176.679 174.700 0.049 0.000 1.037 316 T CA 1.759 63.850 62.100 -0.014 0.000 1.144 316 T CB -0.823 68.056 68.868 0.017 0.000 0.864 316 T HN 0.091 nan 8.240 nan 0.000 0.444 317 A N -0.193 122.666 122.820 0.065 0.000 2.015 317 A HA 0.010 4.336 4.320 0.009 0.000 0.219 317 A C 1.943 179.637 177.584 0.184 0.000 1.163 317 A CA 0.971 53.060 52.037 0.086 0.000 0.646 317 A CB -0.782 18.206 19.000 -0.019 0.000 0.806 317 A HN 0.545 nan 8.150 nan 0.000 0.448 318 Y N 0.066 120.437 120.300 0.119 0.000 2.089 318 Y HA -0.101 4.456 4.550 0.010 0.000 0.282 318 Y C 2.812 178.674 175.900 -0.064 0.000 1.139 318 Y CA 1.525 59.626 58.100 0.002 0.000 1.123 318 Y CB -0.783 37.570 38.460 -0.178 0.000 0.980 318 Y HN 0.335 nan 8.280 nan 0.000 0.493 319 G N -0.666 108.160 108.800 0.044 0.000 2.459 319 G HA2 -0.318 3.648 3.960 0.009 0.000 0.217 319 G HA3 -0.318 3.648 3.960 0.009 0.000 0.217 319 G C 1.513 176.449 174.900 0.059 0.000 1.183 319 G CA 1.315 46.407 45.100 -0.014 0.000 0.776 319 G HN 0.405 nan 8.290 nan 0.000 0.552 320 D N 0.645 121.092 120.400 0.079 0.000 2.084 320 D HA -0.063 4.583 4.640 0.009 0.000 0.196 320 D C 2.695 179.072 176.300 0.128 0.000 0.985 320 D CA 1.371 55.429 54.000 0.095 0.000 0.826 320 D CB -0.451 40.404 40.800 0.091 0.000 0.978 320 D HN 0.245 nan 8.370 nan 0.000 0.456 321 G N 0.930 109.829 108.800 0.164 0.000 2.459 321 G HA2 -0.232 3.733 3.960 0.009 0.000 0.217 321 G HA3 -0.232 3.733 3.960 0.009 0.000 0.217 321 G C 1.793 176.821 174.900 0.213 0.000 1.183 321 G CA 0.806 46.033 45.100 0.212 0.000 0.776 321 G HN 0.275 nan 8.290 nan 0.000 0.552 322 M N 0.300 120.026 119.600 0.210 0.000 2.419 322 M HA 0.060 4.546 4.480 0.009 0.000 0.264 322 M C 2.266 178.722 176.300 0.260 0.000 1.082 322 M CA 0.916 56.376 55.300 0.267 0.000 1.119 322 M CB -0.298 32.505 32.600 0.337 0.000 1.398 322 M HN 0.255 nan 8.290 nan 0.000 0.453 323 N N 1.254 120.076 118.700 0.204 0.000 2.084 323 N HA -0.124 4.621 4.740 0.009 0.000 0.190 323 N C 1.655 177.239 175.510 0.123 0.000 1.030 323 N CA 1.503 54.648 53.050 0.157 0.000 0.849 323 N CB 0.027 38.581 38.487 0.113 0.000 1.012 323 N HN 0.201 nan 8.380 nan 0.000 0.423 324 R N -0.092 120.485 120.500 0.128 0.000 2.105 324 R HA -0.057 4.289 4.340 0.009 0.000 0.239 324 R C 2.168 178.548 176.300 0.133 0.000 1.135 324 R CA 1.323 57.494 56.100 0.118 0.000 0.967 324 R CB -0.397 29.976 30.300 0.121 0.000 0.861 324 R HN 0.373 nan 8.270 nan 0.000 0.442 325 I N 0.583 121.253 120.570 0.166 0.000 2.142 325 I HA -0.304 3.872 4.170 0.009 0.000 0.240 325 I C 2.235 178.471 176.117 0.197 0.000 1.078 325 I CA 1.120 62.529 61.300 0.182 0.000 1.343 325 I CB -0.291 37.821 38.000 0.187 0.000 1.046 325 I HN 0.127 nan 8.210 nan 0.000 0.405 326 I N 0.857 121.492 120.570 0.109 0.000 2.248 326 I HA -0.299 3.876 4.170 0.009 0.000 0.248 326 I C 2.232 178.258 176.117 -0.151 0.000 1.107 326 I CA 1.907 63.120 61.300 -0.144 0.000 1.373 326 I CB -0.987 36.957 38.000 -0.094 0.000 1.055 326 I HN 0.394 nan 8.210 nan 0.000 0.418 327 E N -0.050 120.141 120.200 -0.014 0.000 2.435 327 E HA -0.028 4.327 4.350 0.009 0.000 0.195 327 E C 1.021 177.634 176.600 0.021 0.000 1.029 327 E CA -0.121 56.276 56.400 -0.005 0.000 0.865 327 E CB 0.121 29.832 29.700 0.018 0.000 0.833 327 E HN 0.208 nan 8.360 nan 0.000 0.510 328 S N 1.007 116.752 115.700 0.075 0.000 2.560 328 S HA -0.026 4.450 4.470 0.009 0.000 0.284 328 S C 1.185 175.793 174.600 0.012 0.000 1.327 328 S CA -0.293 57.950 58.200 0.072 0.000 1.055 328 S CB 0.606 63.908 63.200 0.170 0.000 0.868 328 S HN 0.020 nan 8.310 nan 0.000 0.506 329 K N 3.407 123.718 120.400 -0.149 0.000 2.362 329 K HA -0.045 4.281 4.320 0.009 0.000 0.200 329 K C 0.746 177.244 176.600 -0.169 0.000 1.046 329 K CA 1.052 57.215 56.287 -0.206 0.000 0.952 329 K CB -0.255 32.060 32.500 -0.307 0.000 0.753 329 K HN 0.683 nan 8.250 nan 0.000 0.466 330 F N -0.756 119.259 119.950 0.108 0.000 2.765 330 F HA 0.051 4.584 4.527 0.010 0.000 0.302 330 F C 1.989 177.743 175.800 -0.076 0.000 1.111 330 F CA -0.896 57.141 58.000 0.062 0.000 1.359 330 F CB -0.827 38.288 39.000 0.192 0.000 1.097 330 F HN 0.005 nan 8.300 nan 0.000 0.577 331 Y N 2.509 122.818 120.300 0.016 0.000 2.102 331 Y HA -0.351 4.204 4.550 0.009 0.000 0.280 331 Y C 2.124 177.945 175.900 -0.132 0.000 1.178 331 Y CA 2.298 60.337 58.100 -0.102 0.000 1.146 331 Y CB -0.437 37.977 38.460 -0.077 0.000 0.968 331 Y HN 0.221 nan 8.280 nan 0.000 0.504 332 D N -0.526 119.887 120.400 0.022 0.000 2.363 332 D HA -0.113 4.533 4.640 0.009 0.000 0.226 332 D C 1.509 177.741 176.300 -0.114 0.000 1.020 332 D CA 0.850 54.826 54.000 -0.040 0.000 0.892 332 D CB -0.799 40.069 40.800 0.113 0.000 0.900 332 D HN 0.514 nan 8.370 nan 0.000 0.531 333 L N 0.162 121.292 121.223 -0.154 0.000 2.341 333 L HA 0.095 4.440 4.340 0.009 0.000 0.214 333 L C 1.258 177.952 176.870 -0.293 0.000 1.115 333 L CA 0.629 55.385 54.840 -0.139 0.000 0.820 333 L CB -0.649 41.373 42.059 -0.062 0.000 0.944 333 L HN 0.130 nan 8.230 nan 0.000 0.452 334 T N -1.713 112.483 114.554 -0.596 0.000 2.899 334 T HA 0.487 4.842 4.350 0.009 0.000 0.284 334 T C 0.169 174.590 174.700 -0.465 0.000 1.004 334 T CA -0.493 61.166 62.100 -0.734 0.000 1.043 334 T CB 1.930 70.193 68.868 -1.008 0.000 1.013 334 T HN 0.207 nan 8.240 nan 0.000 0.518 335 S N 0.451 115.951 115.700 -0.333 0.000 2.732 335 S HA 0.455 4.931 4.470 0.009 0.000 0.293 335 S C 0.925 175.413 174.600 -0.187 0.000 1.159 335 S CA -1.112 56.961 58.200 -0.212 0.000 0.847 335 S CB 1.708 64.850 63.200 -0.096 0.000 1.169 335 S HN 0.841 nan 8.310 nan 0.000 0.501 336 K N 0.112 120.452 120.400 -0.099 0.000 2.074 336 K HA -0.149 4.176 4.320 0.009 0.000 0.209 336 K C 0.120 176.707 176.600 -0.021 0.000 1.048 336 K CA 2.106 58.368 56.287 -0.042 0.000 0.926 336 K CB -0.289 32.227 32.500 0.027 0.000 0.713 336 K HN 0.591 nan 8.250 nan 0.000 0.444 337 D N 0.471 120.866 120.400 -0.008 0.000 2.427 337 D HA 0.081 4.727 4.640 0.009 0.000 0.224 337 D C -0.567 175.740 176.300 0.010 0.000 1.157 337 D CA 0.105 54.117 54.000 0.021 0.000 0.828 337 D CB 0.622 41.449 40.800 0.044 0.000 0.974 337 D HN 0.017 nan 8.370 nan 0.000 0.498 338 S N 0.408 116.087 115.700 -0.035 0.000 2.560 338 S HA 0.078 4.554 4.470 0.009 0.000 0.284 338 S C 0.582 175.192 174.600 0.015 0.000 1.327 338 S CA 0.077 58.280 58.200 0.004 0.000 1.055 338 S CB 0.783 63.905 63.200 -0.130 0.000 0.868 338 S HN 0.097 nan 8.310 nan 0.000 0.506 339 T N 4.628 119.224 114.554 0.070 0.000 2.751 339 T HA 0.321 4.677 4.350 0.009 0.000 0.290 339 T C 0.031 174.796 174.700 0.108 0.000 0.919 339 T CA 0.195 62.270 62.100 -0.042 0.000 1.136 339 T CB -0.591 68.211 68.868 -0.111 0.000 0.875 339 T HN 0.378 nan 8.240 nan 0.000 0.532 340 I N 4.834 125.430 120.570 0.044 0.000 2.478 340 I HA 0.381 4.557 4.170 0.009 0.000 0.287 340 I C -0.611 175.570 176.117 0.106 0.000 1.042 340 I CA -1.015 60.356 61.300 0.119 0.000 1.067 340 I CB 1.776 39.801 38.000 0.042 0.000 1.233 340 I HN 0.339 nan 8.210 nan 0.000 0.431 341 I N 6.910 127.565 120.570 0.140 0.000 2.339 341 I HA 0.379 4.555 4.170 0.009 0.000 0.290 341 I C -0.022 176.180 176.117 0.142 0.000 0.994 341 I CA -0.818 60.560 61.300 0.129 0.000 1.191 341 I CB 1.484 39.562 38.000 0.131 0.000 1.343 341 I HN 0.151 nan 8.210 nan 0.000 0.458 342 V N 5.472 125.469 119.914 0.138 0.000 2.370 342 V HA 0.492 4.617 4.120 0.009 0.000 0.283 342 V C 0.743 176.922 176.094 0.141 0.000 1.023 342 V CA -0.941 61.448 62.300 0.148 0.000 0.857 342 V CB 1.521 33.458 31.823 0.191 0.000 0.985 342 V HN 0.863 nan 8.190 nan 0.000 0.443 343 A N 4.112 127.010 122.820 0.129 0.000 2.473 343 A HA 0.336 4.661 4.320 0.009 0.000 0.282 343 A C 0.619 178.292 177.584 0.148 0.000 1.163 343 A CA 0.083 52.201 52.037 0.136 0.000 0.827 343 A CB -0.435 18.610 19.000 0.075 0.000 1.098 343 A HN 0.794 nan 8.150 nan 0.000 0.515 344 N N 2.035 120.851 118.700 0.193 0.000 2.365 344 N HA 0.215 4.961 4.740 0.009 0.000 0.257 344 N C -0.527 175.149 175.510 0.278 0.000 1.287 344 N CA -0.018 53.131 53.050 0.165 0.000 0.882 344 N CB 0.278 38.778 38.487 0.021 0.000 1.250 344 N HN 0.643 nan 8.380 nan 0.000 0.507 345 L N 0.898 122.275 121.223 0.257 0.000 2.436 345 L HA 0.260 4.606 4.340 0.009 0.000 0.265 345 L C 1.241 178.142 176.870 0.052 0.000 1.168 345 L CA -0.379 54.593 54.840 0.220 0.000 0.815 345 L CB 0.593 42.766 42.059 0.189 0.000 1.109 345 L HN 0.120 nan 8.230 nan 0.000 0.462 346 S N -0.159 115.389 115.700 -0.255 0.000 2.589 346 S HA 0.032 4.508 4.470 0.009 0.000 0.265 346 S C 0.611 175.084 174.600 -0.213 0.000 1.342 346 S CA -0.683 57.202 58.200 -0.525 0.000 1.005 346 S CB 0.913 63.633 63.200 -0.801 0.000 0.909 346 S HN 0.602 nan 8.310 nan 0.000 0.555 347 D N 2.161 122.451 120.400 -0.183 0.000 2.116 347 D HA -0.054 4.592 4.640 0.009 0.000 0.193 347 D C -0.499 175.731 176.300 -0.117 0.000 0.998 347 D CA 1.548 55.478 54.000 -0.116 0.000 0.836 347 D CB -1.755 38.987 40.800 -0.097 0.000 0.951 347 D HN 0.564 nan 8.370 nan 0.000 0.449 348 P HA -0.022 nan 4.420 nan 0.000 0.217 348 P C 1.240 178.501 177.300 -0.066 0.000 1.151 348 P CA 1.536 64.573 63.100 -0.106 0.000 0.828 348 P CB -0.031 31.599 31.700 -0.116 0.000 0.788 349 A N 0.455 123.242 122.820 -0.054 0.000 1.933 349 A HA -0.186 4.140 4.320 0.009 0.000 0.218 349 A C 2.503 180.088 177.584 0.001 0.000 1.175 349 A CA 1.506 53.547 52.037 0.007 0.000 0.628 349 A CB -1.265 17.769 19.000 0.056 0.000 0.814 349 A HN 0.036 nan 8.150 nan 0.000 0.444 350 R N -0.382 120.101 120.500 -0.029 0.000 2.105 350 R HA -0.120 4.226 4.340 0.009 0.000 0.239 350 R C 2.142 178.372 176.300 -0.116 0.000 1.135 350 R CA 1.333 57.400 56.100 -0.054 0.000 0.967 350 R CB -0.334 29.934 30.300 -0.052 0.000 0.861 350 R HN 0.458 nan 8.270 nan 0.000 0.442 351 A N 1.072 123.831 122.820 -0.102 0.000 2.066 351 A HA -0.130 4.195 4.320 0.009 0.000 0.218 351 A C 1.094 178.593 177.584 -0.141 0.000 1.157 351 A CA 1.482 53.447 52.037 -0.120 0.000 0.670 351 A CB -0.174 18.775 19.000 -0.084 0.000 0.804 351 A HN 0.690 nan 8.150 nan 0.000 0.453 352 N N -2.476 116.157 118.700 -0.112 0.000 2.116 352 N HA 0.087 4.833 4.740 0.009 0.000 0.230 352 N C -0.648 174.822 175.510 -0.065 0.000 1.326 352 N CA 0.271 53.266 53.050 -0.093 0.000 0.867 352 N CB -0.097 38.377 38.487 -0.022 0.000 1.174 352 N HN -0.019 nan 8.380 nan 0.000 0.506 353 T N 0.486 114.994 114.554 -0.077 0.000 2.807 353 T HA 0.339 4.695 4.350 0.009 0.000 0.279 353 T C -0.974 173.697 174.700 -0.049 0.000 0.993 353 T CA -0.381 61.758 62.100 0.064 0.000 0.970 353 T CB 0.913 69.907 68.868 0.209 0.000 0.950 353 T HN 0.124 nan 8.240 nan 0.000 0.441 354 W N 2.377 123.725 121.300 0.081 0.000 2.345 354 W HA 0.450 5.116 4.660 0.011 0.000 0.308 354 W C -0.108 176.298 176.519 -0.188 0.000 1.273 354 W CA -0.690 56.641 57.345 -0.022 0.000 1.243 354 W CB 0.430 29.887 29.460 -0.005 0.000 1.260 354 W HN 0.324 nan 8.180 nan 0.000 0.509 355 V N 5.413 125.181 119.914 -0.242 0.000 2.470 355 V HA 0.199 4.324 4.120 0.009 0.000 0.276 355 V C 0.212 176.003 176.094 -0.505 0.000 1.040 355 V CA -0.199 61.551 62.300 -0.916 0.000 1.008 355 V CB 0.047 31.527 31.823 -0.573 0.000 0.990 355 V HN 0.629 nan 8.190 nan 0.000 0.477 356 Q N 2.571 122.021 119.800 -0.584 0.000 2.633 356 Q HA 0.414 4.759 4.340 0.009 0.000 0.289 356 Q C -1.424 174.698 176.000 0.204 0.000 0.940 356 Q CA -1.009 54.773 55.803 -0.035 0.000 0.785 356 Q CB 1.741 30.534 28.738 0.092 0.000 1.467 356 Q HN 0.439 nan 8.270 nan 0.000 0.401 357 D N 1.362 121.901 120.400 0.233 0.000 2.402 357 D HA 0.195 4.840 4.640 0.009 0.000 0.235 357 D C 0.256 176.760 176.300 0.339 0.000 1.226 357 D CA -0.063 54.142 54.000 0.341 0.000 0.918 357 D CB 0.440 41.414 40.800 0.290 0.000 1.043 357 D HN 0.624 nan 8.370 nan 0.000 0.506 358 L N 3.195 124.689 121.223 0.452 0.000 2.395 358 L HA 0.061 4.406 4.340 0.009 0.000 0.218 358 L C 1.249 178.216 176.870 0.161 0.000 1.130 358 L CA 0.065 55.057 54.840 0.254 0.000 0.826 358 L CB -0.587 41.541 42.059 0.115 0.000 0.941 358 L HN 0.564 nan 8.230 nan 0.000 0.451 359 N N 0.412 119.260 118.700 0.246 0.000 2.693 359 N HA -0.217 4.529 4.740 0.009 0.000 0.249 359 N C 0.146 175.653 175.510 -0.005 0.000 1.119 359 N CA 0.107 53.154 53.050 -0.005 0.000 0.717 359 N CB -0.355 38.035 38.487 -0.161 0.000 1.071 359 N HN 0.277 nan 8.380 nan 0.000 0.555 360 R N 0.651 121.188 120.500 0.062 0.000 2.590 360 R HA 0.078 4.424 4.340 0.009 0.000 0.274 360 R C 0.524 176.791 176.300 -0.055 0.000 1.061 360 R CA -0.139 55.911 56.100 -0.084 0.000 1.081 360 R CB 0.323 30.432 30.300 -0.319 0.000 0.984 360 R HN 0.305 nan 8.270 nan 0.000 0.448 361 N N -0.405 118.212 118.700 -0.138 0.000 2.738 361 N HA -0.224 4.522 4.740 0.009 0.000 0.249 361 N C -1.505 173.814 175.510 -0.318 0.000 1.047 361 N CA 1.455 54.330 53.050 -0.291 0.000 0.707 361 N CB -0.656 37.509 38.487 -0.537 0.000 0.937 361 N HN 0.712 nan 8.380 nan 0.000 0.545 362 A N -0.565 122.152 122.820 -0.170 0.000 2.605 362 A HA 0.487 4.813 4.320 0.009 0.000 0.294 362 A C -0.440 177.081 177.584 -0.106 0.000 1.062 362 A CA -0.817 51.152 52.037 -0.113 0.000 0.682 362 A CB 1.145 20.126 19.000 -0.031 0.000 1.278 362 A HN 0.135 nan 8.150 nan 0.000 0.410 363 E N 1.262 121.433 120.200 -0.048 0.000 2.415 363 E HA 0.233 4.589 4.350 0.009 0.000 0.262 363 E C -0.144 176.410 176.600 -0.076 0.000 1.038 363 E CA 0.268 56.650 56.400 -0.031 0.000 0.921 363 E CB 0.273 29.985 29.700 0.020 0.000 0.950 363 E HN 0.606 nan 8.360 nan 0.000 0.438 364 T N 2.913 117.429 114.554 -0.062 0.000 2.819 364 T HA -0.098 4.258 4.350 0.009 0.000 0.282 364 T C -0.007 174.721 174.700 0.046 0.000 1.013 364 T CA 0.587 62.653 62.100 -0.058 0.000 1.159 364 T CB -0.228 68.637 68.868 -0.005 0.000 1.007 364 T HN 0.316 nan 8.240 nan 0.000 0.514 365 H N 2.389 121.498 119.070 0.065 0.000 2.610 365 H HA 0.316 4.878 4.556 0.010 0.000 0.336 365 H C 0.554 175.922 175.328 0.068 0.000 1.087 365 H CA -0.723 55.370 56.048 0.075 0.000 1.405 365 H CB 0.733 30.551 29.762 0.092 0.000 1.460 365 H HN 0.275 nan 8.280 nan 0.000 0.538 366 K N 1.988 122.505 120.400 0.195 0.000 2.281 366 K HA 0.492 4.818 4.320 0.009 0.000 0.242 366 K C 0.451 177.123 176.600 0.119 0.000 0.971 366 K CA -0.306 56.058 56.287 0.129 0.000 0.834 366 K CB 2.440 35.000 32.500 0.101 0.000 1.181 366 K HN 0.961 nan 8.250 nan 0.000 0.435 367 G N 0.853 109.714 108.800 0.102 0.000 2.681 367 G HA2 -0.234 3.732 3.960 0.009 0.000 0.220 367 G HA3 -0.234 3.732 3.960 0.009 0.000 0.220 367 G C -0.533 174.417 174.900 0.084 0.000 1.353 367 G CA -0.627 44.535 45.100 0.102 0.000 0.872 367 G HN 0.469 nan 8.290 nan 0.000 0.557 368 S N -0.202 115.546 115.700 0.080 0.000 2.593 368 S HA 0.593 5.069 4.470 0.009 0.000 0.269 368 S C 0.505 175.066 174.600 -0.066 0.000 1.334 368 S CA 0.608 58.800 58.200 -0.014 0.000 1.015 368 S CB 1.105 64.323 63.200 0.029 0.000 0.912 368 S HN 0.930 nan 8.310 nan 0.000 0.541 369 T N 2.949 117.398 114.554 -0.174 0.000 2.779 369 T HA 0.490 4.845 4.350 0.009 0.000 0.280 369 T C -0.728 173.812 174.700 -0.266 0.000 0.987 369 T CA -0.275 61.760 62.100 -0.110 0.000 0.966 369 T CB 0.163 69.022 68.868 -0.014 0.000 0.933 369 T HN 0.331 nan 8.240 nan 0.000 0.442 370 F N 2.919 122.909 119.950 0.067 0.000 2.410 370 F HA 0.568 5.101 4.527 0.010 0.000 0.349 370 F C 0.412 176.269 175.800 0.094 0.000 1.117 370 F CA -1.073 56.968 58.000 0.067 0.000 1.104 370 F CB 0.789 39.804 39.000 0.026 0.000 1.122 370 F HN 0.301 nan 8.300 nan 0.000 0.483 371 I N 5.325 126.051 120.570 0.261 0.000 2.410 371 I HA 0.338 4.514 4.170 0.009 0.000 0.286 371 I C -0.908 175.381 176.117 0.286 0.000 1.009 371 I CA -0.687 60.746 61.300 0.222 0.000 1.111 371 I CB 1.428 39.516 38.000 0.147 0.000 1.262 371 I HN 0.337 nan 8.210 nan 0.000 0.443 372 I N 5.181 125.898 120.570 0.244 0.000 2.339 372 I HA 0.437 4.613 4.170 0.009 0.000 0.290 372 I C 0.880 177.099 176.117 0.169 0.000 0.994 372 I CA -0.143 61.300 61.300 0.238 0.000 1.191 372 I CB 1.038 39.171 38.000 0.222 0.000 1.343 372 I HN 0.598 nan 8.210 nan 0.000 0.458 373 G N 4.465 113.361 108.800 0.161 0.000 2.525 373 G HA2 0.552 4.518 3.960 0.009 0.000 0.287 373 G HA3 0.552 4.518 3.960 0.009 0.000 0.287 373 G C -0.070 174.881 174.900 0.086 0.000 1.350 373 G CA -0.262 44.897 45.100 0.098 0.000 1.039 373 G HN 0.672 nan 8.290 nan 0.000 0.513 374 S N -1.704 114.028 115.700 0.054 0.000 2.767 374 S HA 0.361 4.837 4.470 0.009 0.000 0.300 374 S C 0.029 174.654 174.600 0.042 0.000 1.123 374 S CA -0.608 57.624 58.200 0.054 0.000 0.992 374 S CB 1.945 65.171 63.200 0.045 0.000 1.138 374 S HN 0.353 nan 8.310 nan 0.000 0.550 375 D N 0.878 121.302 120.400 0.040 0.000 2.352 375 D HA 0.223 4.869 4.640 0.009 0.000 0.232 375 D C 0.225 176.536 176.300 0.017 0.000 1.055 375 D CA 0.372 54.391 54.000 0.031 0.000 0.891 375 D CB -0.021 40.799 40.800 0.034 0.000 0.897 375 D HN 0.374 nan 8.370 nan 0.000 0.529 376 S N 0.334 116.038 115.700 0.008 0.000 2.745 376 S HA 0.297 4.773 4.470 0.009 0.000 0.292 376 S C 0.202 174.781 174.600 -0.035 0.000 1.127 376 S CA -0.858 57.335 58.200 -0.011 0.000 1.007 376 S CB 0.843 64.036 63.200 -0.012 0.000 1.165 376 S HN 0.038 nan 8.310 nan 0.000 0.544 377 N N 2.935 121.602 118.700 -0.055 0.000 2.420 377 N HA 0.261 5.006 4.740 0.009 0.000 0.262 377 N C -1.014 174.414 175.510 -0.137 0.000 1.144 377 N CA 0.151 53.146 53.050 -0.091 0.000 0.952 377 N CB 0.000 38.433 38.487 -0.090 0.000 1.081 377 N HN 0.436 nan 8.380 nan 0.000 0.480 378 D N 1.377 121.666 120.400 -0.185 0.000 2.272 378 D HA 0.421 5.067 4.640 0.009 0.000 0.247 378 D C 0.110 176.165 176.300 -0.408 0.000 0.990 378 D CA -0.382 53.470 54.000 -0.247 0.000 0.931 378 D CB 1.930 42.607 40.800 -0.205 0.000 1.195 378 D HN 0.202 nan 8.370 nan 0.000 0.477 379 L N 1.728 122.649 121.223 -0.503 0.000 2.319 379 L HA 0.519 4.864 4.340 0.009 0.000 0.281 379 L C -0.373 176.270 176.870 -0.378 0.000 1.005 379 L CA -0.550 53.784 54.840 -0.842 0.000 0.828 379 L CB 1.116 42.207 42.059 -1.614 0.000 1.227 379 L HN 0.135 nan 8.230 nan 0.000 0.415 380 I N 3.288 123.823 120.570 -0.057 0.000 2.466 380 I HA 0.294 4.469 4.170 0.009 0.000 0.289 380 I C -0.563 175.800 176.117 0.411 0.000 1.026 380 I CA -0.522 60.856 61.300 0.130 0.000 1.078 380 I CB 2.237 40.224 38.000 -0.021 0.000 1.249 380 I HN 0.517 nan 8.210 nan 0.000 0.429 381 Q N 5.145 125.131 119.800 0.309 0.000 2.381 381 Q HA 0.557 4.903 4.340 0.009 0.000 0.263 381 Q C -0.355 175.699 176.000 0.091 0.000 1.030 381 Q CA -0.416 55.478 55.803 0.151 0.000 0.772 381 Q CB 1.732 30.500 28.738 0.051 0.000 1.232 381 Q HN 0.777 nan 8.270 nan 0.000 0.476 382 G N 1.772 110.622 108.800 0.084 0.000 2.539 382 G HA2 0.503 4.469 3.960 0.009 0.000 0.258 382 G HA3 0.503 4.469 3.960 0.009 0.000 0.258 382 G C 0.087 174.994 174.900 0.012 0.000 1.202 382 G CA -0.143 44.982 45.100 0.042 0.000 0.851 382 G HN 0.710 nan 8.290 nan 0.000 0.556 383 G N -1.003 107.801 108.800 0.008 0.000 2.525 383 G HA2 0.381 4.347 3.960 0.009 0.000 0.287 383 G HA3 0.381 4.347 3.960 0.009 0.000 0.287 383 G C 1.379 176.274 174.900 -0.009 0.000 1.350 383 G CA 0.623 45.729 45.100 0.009 0.000 1.039 383 G HN 1.119 nan 8.290 nan 0.000 0.513 384 S N -1.359 114.340 115.700 -0.001 0.000 2.489 384 S HA 0.181 4.656 4.470 0.009 0.000 0.228 384 S C 1.433 176.031 174.600 -0.004 0.000 0.995 384 S CA 0.734 58.929 58.200 -0.008 0.000 0.934 384 S CB -0.313 62.886 63.200 -0.001 0.000 0.771 384 S HN 0.860 nan 8.310 nan 0.000 0.522 385 G N 1.607 110.411 108.800 0.006 0.000 2.546 385 G HA2 0.367 4.333 3.960 0.009 0.000 0.239 385 G HA3 0.367 4.333 3.960 0.009 0.000 0.239 385 G C -0.514 174.374 174.900 -0.019 0.000 1.476 385 G CA -0.842 44.266 45.100 0.014 0.000 1.064 385 G HN 0.404 nan 8.290 nan 0.000 0.561 386 N N 1.159 119.840 118.700 -0.032 0.000 2.426 386 N HA 0.388 5.133 4.740 0.009 0.000 0.275 386 N C -1.430 173.912 175.510 -0.281 0.000 1.019 386 N CA -0.097 52.882 53.050 -0.119 0.000 0.941 386 N CB 1.679 40.127 38.487 -0.066 0.000 1.123 386 N HN 0.338 nan 8.380 nan 0.000 0.486 387 D N 0.597 120.750 120.400 -0.412 0.000 2.575 387 D HA 0.340 4.985 4.640 0.009 0.000 0.236 387 D C -0.962 174.843 176.300 -0.826 0.000 1.075 387 D CA -0.310 53.403 54.000 -0.479 0.000 0.860 387 D CB 1.217 41.890 40.800 -0.213 0.000 1.475 387 D HN 0.333 nan 8.370 nan 0.000 0.474 388 Y N 0.970 120.942 120.300 -0.546 0.000 2.464 388 Y HA 0.414 4.970 4.550 0.010 0.000 0.326 388 Y C -0.602 175.093 175.900 -0.340 0.000 0.969 388 Y CA -0.810 56.799 58.100 -0.818 0.000 1.270 388 Y CB 0.749 38.272 38.460 -1.563 0.000 1.103 388 Y HN 0.084 nan 8.280 nan 0.000 0.491 389 L N 3.320 124.601 121.223 0.098 0.000 2.307 389 L HA 0.579 4.925 4.340 0.009 0.000 0.284 389 L C -0.228 176.978 176.870 0.559 0.000 1.023 389 L CA -0.662 54.386 54.840 0.347 0.000 0.810 389 L CB 1.969 44.207 42.059 0.298 0.000 1.231 389 L HN 0.537 nan 8.230 nan 0.000 0.423 390 E N 1.467 122.021 120.200 0.591 0.000 2.220 390 E HA 0.310 4.666 4.350 0.009 0.000 0.256 390 E C 0.552 177.391 176.600 0.397 0.000 0.881 390 E CA -0.337 56.329 56.400 0.443 0.000 0.766 390 E CB 1.814 31.723 29.700 0.347 0.000 1.187 390 E HN 0.753 nan 8.360 nan 0.000 0.419 391 G N 3.741 112.822 108.800 0.468 0.000 2.403 391 G HA2 -0.113 3.853 3.960 0.009 0.000 0.216 391 G HA3 -0.113 3.853 3.960 0.009 0.000 0.216 391 G C 0.568 175.570 174.900 0.169 0.000 1.154 391 G CA 0.490 45.802 45.100 0.354 0.000 0.784 391 G HN 0.709 nan 8.290 nan 0.000 0.538 392 R N -1.067 119.517 120.500 0.140 0.000 3.819 392 R HA -0.157 4.188 4.340 0.009 0.000 0.488 392 R C 0.850 177.191 176.300 0.067 0.000 0.241 392 R CA 0.289 56.438 56.100 0.081 0.000 1.530 392 R CB -1.522 28.821 30.300 0.073 0.000 1.019 392 R HN 0.681 nan 8.270 nan 0.000 0.557 393 A N 0.298 123.146 122.820 0.046 0.000 2.387 393 A HA 0.495 4.821 4.320 0.009 0.000 0.251 393 A C 0.817 178.418 177.584 0.028 0.000 1.113 393 A CA 0.765 52.823 52.037 0.035 0.000 0.794 393 A CB -0.416 18.600 19.000 0.026 0.000 1.069 393 A HN 1.733 nan 8.150 nan 0.000 0.506 394 G N -0.334 108.476 108.800 0.018 0.000 2.690 394 G HA2 -0.102 3.864 3.960 0.009 0.000 0.686 394 G HA3 -0.102 3.864 3.960 0.009 0.000 0.686 394 G C -0.675 174.226 174.900 0.001 0.000 1.277 394 G CA -0.339 44.762 45.100 0.002 0.000 0.799 394 G HN 1.001 nan 8.290 nan 0.000 0.613 395 N N 2.182 120.873 118.700 -0.015 0.000 2.448 395 N HA 0.247 4.993 4.740 0.009 0.000 0.250 395 N C -0.444 175.036 175.510 -0.051 0.000 1.136 395 N CA 0.117 53.158 53.050 -0.015 0.000 0.953 395 N CB 0.622 39.099 38.487 -0.016 0.000 1.251 395 N HN 0.517 nan 8.380 nan 0.000 0.502 396 D N 0.769 121.145 120.400 -0.039 0.000 2.217 396 D HA 0.378 5.024 4.640 0.009 0.000 0.248 396 D C 0.063 176.234 176.300 -0.215 0.000 1.008 396 D CA 0.039 53.925 54.000 -0.189 0.000 0.914 396 D CB 1.610 42.249 40.800 -0.269 0.000 1.182 396 D HN 0.174 nan 8.370 nan 0.000 0.451 397 T N 1.054 115.372 114.554 -0.392 0.000 2.824 397 T HA 0.492 4.848 4.350 0.009 0.000 0.282 397 T C -0.470 174.067 174.700 -0.272 0.000 0.993 397 T CA -0.556 61.432 62.100 -0.187 0.000 0.967 397 T CB 0.497 69.331 68.868 -0.057 0.000 0.960 397 T HN 0.096 nan 8.240 nan 0.000 0.441 398 F N 1.764 121.853 119.950 0.233 0.000 2.480 398 F HA 0.700 5.232 4.527 0.009 0.000 0.329 398 F C 0.847 176.774 175.800 0.212 0.000 1.091 398 F CA -1.143 57.009 58.000 0.253 0.000 0.972 398 F CB 1.688 40.766 39.000 0.129 0.000 1.150 398 F HN 0.205 nan 8.300 nan 0.000 0.467 399 R N 0.653 121.336 120.500 0.305 0.000 2.888 399 R HA 0.642 4.987 4.340 0.009 0.000 0.266 399 R C -1.857 174.472 176.300 0.048 0.000 1.020 399 R CA -1.157 54.956 56.100 0.022 0.000 0.963 399 R CB 2.397 32.474 30.300 -0.370 0.000 1.197 399 R HN 0.717 nan 8.270 nan 0.000 0.481 400 D N -1.069 119.326 120.400 -0.008 0.000 2.878 400 D HA 0.215 4.861 4.640 0.009 0.000 0.211 400 D C 0.069 176.358 176.300 -0.018 0.000 1.271 400 D CA -0.341 53.657 54.000 -0.003 0.000 0.845 400 D CB 1.493 42.297 40.800 0.005 0.000 1.679 400 D HN 0.574 nan 8.370 nan 0.000 0.536 401 G N 1.690 110.475 108.800 -0.026 0.000 2.920 401 G HA2 0.512 4.477 3.960 0.009 0.000 0.208 401 G HA3 0.512 4.477 3.960 0.009 0.000 0.208 401 G C 0.811 175.698 174.900 -0.022 0.000 1.159 401 G CA 0.478 45.563 45.100 -0.024 0.000 0.784 401 G HN 0.884 nan 8.290 nan 0.000 0.535 402 G N -2.315 106.466 108.800 -0.031 0.000 2.315 402 G HA2 0.514 4.480 3.960 0.009 0.000 0.296 402 G HA3 0.514 4.480 3.960 0.009 0.000 0.296 402 G C 0.345 175.187 174.900 -0.096 0.000 1.289 402 G CA 0.271 45.336 45.100 -0.059 0.000 0.996 402 G HN 1.912 nan 8.290 nan 0.000 0.487 403 G N -1.588 107.118 108.800 -0.158 0.000 2.584 403 G HA2 0.236 4.201 3.960 0.009 0.000 0.229 403 G HA3 0.236 4.201 3.960 0.009 0.000 0.229 403 G C -0.532 174.150 174.900 -0.363 0.000 1.320 403 G CA 0.344 45.342 45.100 -0.171 0.000 0.891 403 G HN 1.775 nan 8.290 nan 0.000 0.573 404 Y N 1.767 122.022 120.300 -0.075 0.000 2.341 404 Y HA 0.648 5.205 4.550 0.011 0.000 0.338 404 Y C 0.585 176.369 175.900 -0.194 0.000 0.965 404 Y CA -0.819 57.229 58.100 -0.087 0.000 1.108 404 Y CB 2.093 40.519 38.460 -0.056 0.000 1.180 404 Y HN 0.629 nan 8.280 nan 0.000 0.458 405 N N 1.539 120.190 118.700 -0.081 0.000 2.329 405 N HA 0.541 5.287 4.740 0.009 0.000 0.282 405 N C -1.812 173.582 175.510 -0.193 0.000 1.198 405 N CA -0.721 52.177 53.050 -0.254 0.000 0.790 405 N CB 2.802 41.171 38.487 -0.197 0.000 1.579 405 N HN 0.224 nan 8.380 nan 0.000 0.475 406 V N 1.824 121.562 119.914 -0.293 0.000 2.409 406 V HA 0.534 4.660 4.120 0.009 0.000 0.291 406 V C -0.156 175.958 176.094 0.033 0.000 1.020 406 V CA -0.592 61.697 62.300 -0.019 0.000 0.848 406 V CB 1.238 33.219 31.823 0.265 0.000 0.990 406 V HN 0.526 nan 8.190 nan 0.000 0.430 407 I N 6.099 126.658 120.570 -0.019 0.000 2.411 407 I HA 0.424 4.599 4.170 0.009 0.000 0.284 407 I C -0.674 175.336 176.117 -0.179 0.000 1.012 407 I CA -0.289 60.906 61.300 -0.175 0.000 1.119 407 I CB 1.534 39.277 38.000 -0.427 0.000 1.261 407 I HN 0.346 nan 8.210 nan 0.000 0.448 408 L N 5.686 126.876 121.223 -0.055 0.000 2.264 408 L HA 0.398 4.744 4.340 0.009 0.000 0.287 408 L C 1.515 178.349 176.870 -0.060 0.000 1.039 408 L CA -0.283 54.520 54.840 -0.063 0.000 0.829 408 L CB 1.498 43.521 42.059 -0.060 0.000 1.211 408 L HN 0.795 nan 8.230 nan 0.000 0.427 409 G N 2.184 110.942 108.800 -0.070 0.000 2.448 409 G HA2 0.173 4.139 3.960 0.009 0.000 0.219 409 G HA3 0.173 4.139 3.960 0.009 0.000 0.219 409 G C 0.891 175.897 174.900 0.176 0.000 1.127 409 G CA 0.632 45.810 45.100 0.129 0.000 0.766 409 G HN 0.928 nan 8.290 nan 0.000 0.552 410 G N -0.642 108.206 108.800 0.079 0.000 2.698 410 G HA2 0.254 4.220 3.960 0.009 0.000 0.233 410 G HA3 0.254 4.220 3.960 0.009 0.000 0.233 410 G C 0.486 175.415 174.900 0.048 0.000 1.352 410 G CA 0.096 45.231 45.100 0.058 0.000 0.879 410 G HN 1.426 nan 8.290 nan 0.000 0.567 411 A N -0.723 122.119 122.820 0.037 0.000 2.346 411 A HA 0.875 5.201 4.320 0.009 0.000 0.255 411 A C 1.871 179.478 177.584 0.039 0.000 1.113 411 A CA 2.083 54.138 52.037 0.030 0.000 0.798 411 A CB -0.221 18.791 19.000 0.021 0.000 1.073 411 A HN 3.064 nan 8.150 nan 0.000 0.502 412 G N -0.317 108.500 108.800 0.029 0.000 2.757 412 G HA2 -0.124 3.842 3.960 0.009 0.000 0.638 412 G HA3 -0.124 3.842 3.960 0.009 0.000 0.638 412 G C -0.638 174.282 174.900 0.033 0.000 1.344 412 G CA -0.246 44.870 45.100 0.028 0.000 0.855 412 G HN 1.013 nan 8.290 nan 0.000 0.537 413 N N 2.272 120.989 118.700 0.028 0.000 2.521 413 N HA 0.238 4.984 4.740 0.009 0.000 0.236 413 N C -0.178 175.362 175.510 0.050 0.000 1.067 413 N CA -0.269 52.800 53.050 0.031 0.000 0.939 413 N CB 0.308 38.805 38.487 0.017 0.000 1.201 413 N HN 0.517 nan 8.380 nan 0.000 0.511 414 N N 0.820 119.569 118.700 0.082 0.000 2.466 414 N HA 0.420 5.166 4.740 0.009 0.000 0.294 414 N C -0.319 175.281 175.510 0.151 0.000 1.129 414 N CA -0.048 53.091 53.050 0.149 0.000 0.931 414 N CB 1.655 40.297 38.487 0.258 0.000 1.193 414 N HN 0.178 nan 8.380 nan 0.000 0.500 415 T N 1.042 115.720 114.554 0.207 0.000 2.921 415 T HA 0.301 4.657 4.350 0.009 0.000 0.297 415 T C -0.769 174.098 174.700 0.279 0.000 1.013 415 T CA -0.510 61.694 62.100 0.174 0.000 0.990 415 T CB 1.527 70.464 68.868 0.115 0.000 1.023 415 T HN 0.225 nan 8.240 nan 0.000 0.447 416 L N 3.602 124.938 121.223 0.188 0.000 2.262 416 L HA 0.556 4.902 4.340 0.009 0.000 0.288 416 L C -0.623 176.305 176.870 0.097 0.000 1.035 416 L CA -0.513 54.430 54.840 0.171 0.000 0.820 416 L CB 0.849 42.947 42.059 0.064 0.000 1.204 416 L HN 0.525 nan 8.230 nan 0.000 0.424 417 D N 4.473 124.948 120.400 0.125 0.000 2.428 417 D HA 0.167 4.813 4.640 0.009 0.000 0.221 417 D C 0.883 177.185 176.300 0.003 0.000 1.123 417 D CA -0.047 53.997 54.000 0.074 0.000 0.869 417 D CB 0.683 41.558 40.800 0.125 0.000 1.032 417 D HN 0.640 nan 8.370 nan 0.000 0.506 418 L N 2.833 124.021 121.223 -0.059 0.000 2.376 418 L HA -0.052 4.294 4.340 0.009 0.000 0.219 418 L C 1.304 178.195 176.870 0.034 0.000 1.133 418 L CA 0.256 55.024 54.840 -0.120 0.000 0.816 418 L CB -0.434 41.338 42.059 -0.478 0.000 0.933 418 L HN 0.546 nan 8.230 nan 0.000 0.449 419 Q N -0.534 119.289 119.800 0.037 0.000 2.439 419 Q HA -0.246 4.100 4.340 0.009 0.000 0.247 419 Q C -0.448 175.610 176.000 0.096 0.000 0.899 419 Q CA 1.191 57.023 55.803 0.049 0.000 1.201 419 Q CB -1.409 27.329 28.738 0.001 0.000 1.608 419 Q HN 0.574 nan 8.270 nan 0.000 0.563 420 K N -0.698 119.804 120.400 0.169 0.000 2.533 420 K HA 0.512 4.838 4.320 0.009 0.000 0.284 420 K C -0.611 176.136 176.600 0.244 0.000 1.025 420 K CA -0.796 55.609 56.287 0.197 0.000 0.900 420 K CB 1.447 34.085 32.500 0.230 0.000 1.519 420 K HN -0.033 nan 8.250 nan 0.000 0.432 421 S N 0.419 116.232 115.700 0.188 0.000 2.558 421 S HA -0.046 4.430 4.470 0.009 0.000 0.293 421 S C 1.257 176.040 174.600 0.305 0.000 1.292 421 S CA -0.257 58.056 58.200 0.190 0.000 1.063 421 S CB 0.695 63.964 63.200 0.115 0.000 0.831 421 S HN 0.498 nan 8.310 nan 0.000 0.499 422 V N 5.239 125.312 119.914 0.266 0.000 2.527 422 V HA -0.230 3.895 4.120 0.009 0.000 0.255 422 V C 1.670 177.953 176.094 0.315 0.000 1.081 422 V CA 2.698 65.181 62.300 0.304 0.000 1.092 422 V CB -0.924 30.965 31.823 0.110 0.000 0.673 422 V HN 0.938 nan 8.190 nan 0.000 0.470 423 N N -0.258 118.554 118.700 0.187 0.000 2.512 423 N HA -0.092 4.653 4.740 0.009 0.000 0.183 423 N C 1.395 176.924 175.510 0.032 0.000 1.073 423 N CA 1.254 54.367 53.050 0.105 0.000 0.911 423 N CB -0.084 38.441 38.487 0.063 0.000 0.964 423 N HN 0.710 nan 8.380 nan 0.000 0.447 424 T N -2.286 112.260 114.554 -0.014 0.000 3.122 424 T HA 0.207 4.563 4.350 0.009 0.000 0.250 424 T C -0.051 174.303 174.700 -0.577 0.000 1.067 424 T CA -0.184 61.745 62.100 -0.285 0.000 0.966 424 T CB -0.339 68.284 68.868 -0.409 0.000 1.002 424 T HN -0.086 nan 8.240 nan 0.000 0.542 425 F N 0.930 120.809 119.950 -0.119 0.000 2.563 425 F HA 0.599 5.130 4.527 0.006 0.000 0.316 425 F C -0.348 175.214 175.800 -0.396 0.000 1.076 425 F CA -1.447 56.352 58.000 -0.335 0.000 0.921 425 F CB 1.647 40.303 39.000 -0.574 0.000 1.209 425 F HN -0.085 nan 8.300 nan 0.000 0.462 426 D N 1.491 121.726 120.400 -0.276 0.000 2.181 426 D HA 0.472 5.118 4.640 0.009 0.000 0.248 426 D C -1.095 174.886 176.300 -0.533 0.000 1.020 426 D CA -0.042 53.821 54.000 -0.228 0.000 0.891 426 D CB 1.830 42.616 40.800 -0.023 0.000 1.187 426 D HN 0.144 nan 8.370 nan 0.000 0.443 427 F N 0.534 120.491 119.950 0.011 0.000 2.540 427 F HA 0.647 5.179 4.527 0.008 0.000 0.317 427 F C 0.302 176.009 175.800 -0.155 0.000 1.104 427 F CA -0.775 57.225 58.000 -0.000 0.000 0.913 427 F CB 1.977 41.060 39.000 0.137 0.000 1.170 427 F HN 0.303 nan 8.300 nan 0.000 0.450 428 A N 2.361 125.033 122.820 -0.246 0.000 2.527 428 A HA 0.807 5.132 4.320 0.009 0.000 0.293 428 A C -1.615 175.687 177.584 -0.470 0.000 1.117 428 A CA -0.671 51.018 52.037 -0.580 0.000 0.723 428 A CB 2.127 20.266 19.000 -1.436 0.000 1.313 428 A HN 0.653 nan 8.150 nan 0.000 0.411 429 N N 0.346 118.704 118.700 -0.570 0.000 2.542 429 N HA 0.170 4.915 4.740 0.009 0.000 0.288 429 N C -1.077 174.015 175.510 -0.697 0.000 1.115 429 N CA -0.101 52.567 53.050 -0.636 0.000 0.924 429 N CB 1.839 39.663 38.487 -1.106 0.000 1.526 429 N HN 0.668 nan 8.380 nan 0.000 0.515 430 D N 2.130 121.976 120.400 -0.924 0.000 2.363 430 D HA 0.132 4.778 4.640 0.009 0.000 0.226 430 D C 1.252 177.272 176.300 -0.467 0.000 1.020 430 D CA 0.905 54.160 54.000 -1.242 0.000 0.892 430 D CB -0.297 39.795 40.800 -1.180 0.000 0.900 430 D HN 0.813 nan 8.370 nan 0.000 0.531 431 G N -0.144 108.464 108.800 -0.319 0.000 2.189 431 G HA2 -0.300 3.666 3.960 0.009 0.000 0.267 431 G HA3 -0.300 3.666 3.960 0.009 0.000 0.267 431 G C 0.942 175.769 174.900 -0.122 0.000 0.975 431 G CA 0.444 45.445 45.100 -0.164 0.000 0.644 431 G HN 0.942 nan 8.290 nan 0.000 0.537 432 A N -0.344 122.390 122.820 -0.144 0.000 2.500 432 A HA 0.660 4.985 4.320 0.009 0.000 0.267 432 A C 2.155 179.686 177.584 -0.089 0.000 1.290 432 A CA 1.451 53.437 52.037 -0.085 0.000 0.928 432 A CB -0.371 18.598 19.000 -0.053 0.000 1.066 432 A HN 2.346 nan 8.150 nan 0.000 0.516 433 G N -0.284 108.444 108.800 -0.120 0.000 2.176 433 G HA2 -0.206 3.760 3.960 0.009 0.000 0.232 433 G HA3 -0.206 3.760 3.960 0.009 0.000 0.232 433 G C -0.222 174.574 174.900 -0.173 0.000 0.986 433 G CA -0.049 44.980 45.100 -0.118 0.000 0.643 433 G HN 0.455 nan 8.290 nan 0.000 0.522 434 N N 0.582 119.135 118.700 -0.246 0.000 2.426 434 N HA 0.488 5.233 4.740 0.009 0.000 0.257 434 N C -0.572 174.624 175.510 -0.523 0.000 1.002 434 N CA -0.251 52.544 53.050 -0.424 0.000 0.942 434 N CB 2.013 40.184 38.487 -0.526 0.000 1.112 434 N HN 0.377 nan 8.380 nan 0.000 0.499 435 L N 3.797 124.760 121.223 -0.433 0.000 2.264 435 L HA 0.411 4.757 4.340 0.009 0.000 0.289 435 L C -1.287 175.382 176.870 -0.334 0.000 1.044 435 L CA -0.469 54.187 54.840 -0.306 0.000 0.807 435 L CB 0.160 42.136 42.059 -0.138 0.000 1.192 435 L HN 0.331 nan 8.230 nan 0.000 0.425 436 Y N 4.148 124.390 120.300 -0.096 0.000 2.330 436 Y HA 0.604 5.160 4.550 0.009 0.000 0.336 436 Y C -0.135 175.746 175.900 -0.032 0.000 1.036 436 Y CA -0.803 57.279 58.100 -0.030 0.000 1.125 436 Y CB 1.729 40.184 38.460 -0.007 0.000 1.194 436 Y HN 0.290 nan 8.280 nan 0.000 0.469 437 V N 4.671 124.658 119.914 0.122 0.000 2.378 437 V HA 0.461 4.586 4.120 0.009 0.000 0.288 437 V C -0.392 175.714 176.094 0.020 0.000 1.016 437 V CA -1.056 61.225 62.300 -0.031 0.000 0.840 437 V CB 1.388 33.190 31.823 -0.034 0.000 0.994 437 V HN 0.704 nan 8.190 nan 0.000 0.431 438 R N 3.265 123.747 120.500 -0.030 0.000 2.343 438 R HA 0.458 4.803 4.340 0.009 0.000 0.320 438 R C -0.425 175.874 176.300 -0.003 0.000 0.956 438 R CA -0.563 55.559 56.100 0.037 0.000 0.836 438 R CB 1.162 31.541 30.300 0.131 0.000 1.151 438 R HN 0.937 nan 8.270 nan 0.000 0.450 439 D N 3.353 123.730 120.400 -0.039 0.000 2.414 439 D HA 0.088 4.734 4.640 0.009 0.000 0.251 439 D C 0.892 176.998 176.300 -0.322 0.000 1.252 439 D CA -0.249 53.573 54.000 -0.296 0.000 0.999 439 D CB 0.689 41.366 40.800 -0.206 0.000 1.093 439 D HN 0.424 nan 8.370 nan 0.000 0.515 440 A N 0.016 122.586 122.820 -0.416 0.000 2.125 440 A HA -0.171 4.155 4.320 0.009 0.000 0.219 440 A C 1.494 178.975 177.584 -0.171 0.000 1.156 440 A CA 0.899 52.773 52.037 -0.271 0.000 0.671 440 A CB -0.683 18.154 19.000 -0.273 0.000 0.794 440 A HN 0.567 nan 8.150 nan 0.000 0.459 441 N N -1.120 117.481 118.700 -0.164 0.000 2.270 441 N HA 0.161 4.906 4.740 0.009 0.000 0.198 441 N C 1.154 176.607 175.510 -0.096 0.000 1.117 441 N CA 0.941 53.924 53.050 -0.113 0.000 0.845 441 N CB 0.655 39.079 38.487 -0.105 0.000 0.980 441 N HN 0.592 nan 8.380 nan 0.000 0.486 442 G N 0.144 108.878 108.800 -0.109 0.000 2.199 442 G HA2 -0.239 3.727 3.960 0.009 0.000 0.254 442 G HA3 -0.239 3.727 3.960 0.009 0.000 0.254 442 G C 0.532 175.325 174.900 -0.177 0.000 0.982 442 G CA -0.003 45.054 45.100 -0.072 0.000 0.632 442 G HN 0.531 nan 8.290 nan 0.000 0.529 443 G N 0.183 108.759 108.800 -0.374 0.000 2.313 443 G HA2 0.463 4.429 3.960 0.009 0.000 0.250 443 G HA3 0.463 4.429 3.960 0.009 0.000 0.250 443 G C 0.108 174.732 174.900 -0.460 0.000 1.281 443 G CA 0.065 44.676 45.100 -0.814 0.000 0.917 443 G HN 0.736 nan 8.290 nan 0.000 0.501 444 I N 1.481 121.789 120.570 -0.438 0.000 2.377 444 I HA 0.233 4.409 4.170 0.009 0.000 0.293 444 I C 0.187 176.330 176.117 0.045 0.000 0.987 444 I CA -0.349 60.962 61.300 0.019 0.000 1.185 444 I CB 1.982 40.133 38.000 0.253 0.000 1.341 444 I HN 0.264 nan 8.210 nan 0.000 0.455 445 S N 6.758 122.492 115.700 0.056 0.000 2.437 445 S HA 0.573 5.049 4.470 0.009 0.000 0.305 445 S C -0.196 174.437 174.600 0.056 0.000 1.109 445 S CA -0.528 57.687 58.200 0.024 0.000 1.099 445 S CB 0.914 64.095 63.200 -0.032 0.000 1.004 445 S HN 0.337 nan 8.310 nan 0.000 0.475 446 I N 3.635 124.222 120.570 0.030 0.000 2.325 446 I HA 0.313 4.489 4.170 0.009 0.000 0.291 446 I C 0.694 176.735 176.117 -0.126 0.000 1.019 446 I CA -0.245 60.999 61.300 -0.094 0.000 1.302 446 I CB 1.076 39.067 38.000 -0.016 0.000 1.401 446 I HN 0.557 nan 8.210 nan 0.000 0.485 447 T N 4.180 118.608 114.554 -0.210 0.000 2.887 447 T HA 0.680 5.036 4.350 0.009 0.000 0.288 447 T C -0.382 174.207 174.700 -0.185 0.000 1.021 447 T CA -0.964 61.030 62.100 -0.176 0.000 1.000 447 T CB 1.919 70.692 68.868 -0.158 0.000 1.034 447 T HN 0.566 nan 8.240 nan 0.000 0.467 448 R N 1.490 121.907 120.500 -0.139 0.000 2.725 448 R HA 0.436 4.782 4.340 0.009 0.000 0.277 448 R C -0.809 175.442 176.300 -0.082 0.000 0.987 448 R CA -0.827 55.207 56.100 -0.111 0.000 0.901 448 R CB 1.365 31.616 30.300 -0.083 0.000 1.207 448 R HN 0.875 nan 8.270 nan 0.000 0.463 449 D N 1.022 121.387 120.400 -0.059 0.000 3.012 449 D HA -0.191 4.455 4.640 0.009 0.000 0.222 449 D C -0.459 175.838 176.300 -0.005 0.000 1.167 449 D CA 1.172 55.157 54.000 -0.025 0.000 0.854 449 D CB -0.712 40.082 40.800 -0.010 0.000 1.107 449 D HN 0.419 nan 8.370 nan 0.000 0.421 450 I N 0.644 121.198 120.570 -0.026 0.000 2.330 450 I HA 0.274 4.450 4.170 0.009 0.000 0.286 450 I C 1.718 177.833 176.117 -0.003 0.000 1.025 450 I CA -0.058 61.244 61.300 0.003 0.000 1.197 450 I CB 1.648 39.637 38.000 -0.018 0.000 1.358 450 I HN -0.012 nan 8.210 nan 0.000 0.467 451 G N 3.612 112.420 108.800 0.013 0.000 2.683 451 G HA2 0.040 4.006 3.960 0.009 0.000 0.213 451 G HA3 0.040 4.006 3.960 0.009 0.000 0.213 451 G C 0.440 175.341 174.900 0.002 0.000 1.142 451 G CA 0.162 45.264 45.100 0.003 0.000 0.793 451 G HN 0.507 nan 8.290 nan 0.000 0.534 452 S N 0.347 116.057 115.700 0.017 0.000 2.532 452 S HA 0.617 5.093 4.470 0.009 0.000 0.299 452 S C -0.999 173.613 174.600 0.020 0.000 1.105 452 S CA -0.529 57.682 58.200 0.019 0.000 1.018 452 S CB 2.003 65.223 63.200 0.033 0.000 1.021 452 S HN 0.014 nan 8.310 nan 0.000 0.483 453 I N 3.098 123.669 120.570 0.002 0.000 2.378 453 I HA 0.414 4.590 4.170 0.009 0.000 0.291 453 I C -0.333 175.828 176.117 0.073 0.000 0.992 453 I CA -0.801 60.487 61.300 -0.019 0.000 1.154 453 I CB 1.345 39.237 38.000 -0.181 0.000 1.315 453 I HN 0.285 nan 8.210 nan 0.000 0.448 454 V N 5.821 125.773 119.914 0.064 0.000 2.394 454 V HA 0.529 4.655 4.120 0.009 0.000 0.282 454 V C 0.531 176.671 176.094 0.076 0.000 1.031 454 V CA -0.350 62.008 62.300 0.095 0.000 0.881 454 V CB 1.669 33.541 31.823 0.081 0.000 0.982 454 V HN 0.944 nan 8.190 nan 0.000 0.451 455 T N 1.692 116.331 114.554 0.142 0.000 2.924 455 T HA 0.637 4.992 4.350 0.009 0.000 0.291 455 T C -0.727 174.043 174.700 0.116 0.000 1.045 455 T CA -0.972 61.209 62.100 0.135 0.000 1.015 455 T CB 2.073 71.061 68.868 0.199 0.000 1.103 455 T HN 0.534 nan 8.240 nan 0.000 0.496 456 K N 1.403 121.869 120.400 0.110 0.000 2.367 456 K HA 0.383 4.708 4.320 0.009 0.000 0.263 456 K C -0.787 175.863 176.600 0.082 0.000 1.000 456 K CA -0.510 55.826 56.287 0.082 0.000 0.891 456 K CB 0.637 33.180 32.500 0.072 0.000 1.117 456 K HN 0.557 nan 8.250 nan 0.000 0.443 457 E N 4.337 124.572 120.200 0.058 0.000 2.195 457 E HA 0.322 4.678 4.350 0.009 0.000 0.271 457 E C -2.555 174.057 176.600 0.019 0.000 0.923 457 E CA -2.653 53.774 56.400 0.045 0.000 0.790 457 E CB 1.321 31.039 29.700 0.030 0.000 1.155 457 E HN 0.482 nan 8.360 nan 0.000 0.402 458 P HA 0.024 nan 4.420 nan 0.000 0.262 458 P C -0.044 177.232 177.300 -0.039 0.000 1.182 458 P CA 0.360 63.467 63.100 0.012 0.000 0.761 458 P CB 0.603 32.321 31.700 0.029 0.000 0.795 459 G N 2.018 110.792 108.800 -0.044 0.000 3.264 459 G HA2 0.538 4.504 3.960 0.009 0.000 0.168 459 G HA3 0.538 4.504 3.960 0.009 0.000 0.168 459 G C -0.868 173.945 174.900 -0.145 0.000 1.145 459 G CA -0.825 44.169 45.100 -0.176 0.000 0.855 459 G HN 0.323 nan 8.290 nan 0.000 0.629 460 F N 0.708 120.674 119.950 0.028 0.000 2.490 460 F HA 0.340 4.871 4.527 0.007 0.000 0.336 460 F C 1.165 176.960 175.800 -0.009 0.000 1.178 460 F CA 0.049 58.004 58.000 -0.074 0.000 1.301 460 F CB 0.455 39.361 39.000 -0.156 0.000 1.175 460 F HN 0.109 nan 8.300 nan 0.000 0.593 461 L N 3.146 124.282 121.223 -0.145 0.000 3.713 461 L HA -0.315 4.031 4.340 0.009 0.000 0.499 461 L C -0.755 176.096 176.870 -0.031 0.000 1.281 461 L CA 0.122 54.687 54.840 -0.458 0.000 0.796 461 L CB -1.443 40.663 42.059 0.079 0.000 1.535 461 L HN 0.845 nan 8.230 nan 0.000 0.851 462 W N -1.000 120.385 121.300 0.141 0.000 5.770 462 W HA -0.226 4.439 4.660 0.007 0.000 0.389 462 W C 1.179 177.732 176.519 0.058 0.000 1.469 462 W CA 1.021 58.413 57.345 0.078 0.000 0.975 462 W CB -2.195 27.300 29.460 0.058 0.000 2.622 462 W HN 0.955 nan 8.180 nan 0.000 1.500 463 G N -1.306 107.581 108.800 0.145 0.000 2.175 463 G HA2 -0.324 3.642 3.960 0.009 0.000 0.244 463 G HA3 -0.324 3.642 3.960 0.009 0.000 0.244 463 G C 0.688 175.627 174.900 0.066 0.000 0.982 463 G CA 0.496 45.654 45.100 0.098 0.000 0.641 463 G HN 0.487 nan 8.290 nan 0.000 0.527 464 L N -0.032 121.230 121.223 0.065 0.000 2.017 464 L HA 0.387 4.733 4.340 0.009 0.000 0.208 464 L C 1.277 177.977 176.870 -0.284 0.000 1.073 464 L CA 1.594 56.353 54.840 -0.134 0.000 0.745 464 L CB -0.419 41.508 42.059 -0.220 0.000 0.894 464 L HN 0.242 nan 8.230 nan 0.000 0.432 465 F N 0.236 120.215 119.950 0.049 0.000 2.403 465 F HA 0.471 5.005 4.527 0.012 0.000 0.326 465 F C 0.502 176.308 175.800 0.009 0.000 1.081 465 F CA -0.824 57.202 58.000 0.044 0.000 1.041 465 F CB 0.638 39.688 39.000 0.084 0.000 1.234 465 F HN -0.279 nan 8.300 nan 0.000 0.503 466 K N 1.268 121.785 120.400 0.195 0.000 2.259 466 K HA 0.374 4.699 4.320 0.009 0.000 0.252 466 K C -1.499 175.142 176.600 0.068 0.000 0.936 466 K CA -0.821 55.520 56.287 0.090 0.000 0.810 466 K CB 2.065 34.606 32.500 0.068 0.000 1.143 466 K HN 0.485 nan 8.250 nan 0.000 0.427 467 D N 1.228 121.634 120.400 0.010 0.000 2.192 467 D HA 0.228 4.874 4.640 0.009 0.000 0.246 467 D C -0.786 175.518 176.300 0.006 0.000 1.042 467 D CA -0.223 53.766 54.000 -0.018 0.000 0.847 467 D CB 1.558 42.305 40.800 -0.089 0.000 1.186 467 D HN 0.224 nan 8.370 nan 0.000 0.461 468 D N 1.183 121.590 120.400 0.011 0.000 2.317 468 D HA 0.250 4.895 4.640 0.009 0.000 0.234 468 D C -0.497 175.797 176.300 -0.011 0.000 1.112 468 D CA -0.273 53.739 54.000 0.020 0.000 0.840 468 D CB 1.903 42.724 40.800 0.036 0.000 1.078 468 D HN -0.025 nan 8.370 nan 0.000 0.486 469 V N 2.753 122.657 119.914 -0.016 0.000 2.417 469 V HA 0.281 4.407 4.120 0.009 0.000 0.291 469 V C 0.424 176.465 176.094 -0.089 0.000 1.024 469 V CA -0.587 61.647 62.300 -0.111 0.000 0.861 469 V CB 1.912 33.631 31.823 -0.174 0.000 0.985 469 V HN 0.435 nan 8.190 nan 0.000 0.436 470 T N 4.574 119.051 114.554 -0.129 0.000 2.753 470 T HA 0.469 4.825 4.350 0.009 0.000 0.297 470 T C -0.491 174.126 174.700 -0.138 0.000 0.981 470 T CA -0.278 61.788 62.100 -0.056 0.000 0.956 470 T CB 0.028 68.878 68.868 -0.029 0.000 0.936 470 T HN 0.691 nan 8.240 nan 0.000 0.463 471 H N 0.692 119.712 119.070 -0.083 0.000 2.463 471 H HA 0.537 5.098 4.556 0.008 0.000 0.332 471 H C 0.169 175.430 175.328 -0.111 0.000 1.127 471 H CA -0.490 55.488 56.048 -0.117 0.000 1.238 471 H CB 0.905 30.558 29.762 -0.183 0.000 1.478 471 H HN 0.425 nan 8.280 nan 0.000 0.499 472 S N 1.615 117.320 115.700 0.008 0.000 2.525 472 S HA 0.263 4.738 4.470 0.009 0.000 0.278 472 S C -0.096 174.477 174.600 -0.046 0.000 1.234 472 S CA -0.934 57.253 58.200 -0.021 0.000 1.058 472 S CB 1.042 64.226 63.200 -0.028 0.000 0.983 472 S HN 0.326 nan 8.310 nan 0.000 0.495 473 V N 4.141 124.032 119.914 -0.039 0.000 2.427 473 V HA 0.440 4.565 4.120 0.009 0.000 0.268 473 V C 0.786 176.880 176.094 0.000 0.000 1.046 473 V CA -0.227 62.056 62.300 -0.027 0.000 0.970 473 V CB 0.210 32.027 31.823 -0.011 0.000 1.001 473 V HN 1.079 nan 8.190 nan 0.000 0.476 474 T N 1.848 116.407 114.554 0.009 0.000 2.864 474 T HA 0.689 5.045 4.350 0.009 0.000 0.289 474 T C 1.088 175.846 174.700 0.097 0.000 1.082 474 T CA -0.050 62.061 62.100 0.017 0.000 1.009 474 T CB 1.991 70.842 68.868 -0.028 0.000 1.234 474 T HN 0.530 nan 8.240 nan 0.000 0.526 475 A N 0.915 123.781 122.820 0.077 0.000 1.978 475 A HA 0.010 4.336 4.320 0.009 0.000 0.220 475 A C 2.293 179.977 177.584 0.167 0.000 1.170 475 A CA 2.166 54.278 52.037 0.125 0.000 0.636 475 A CB -1.310 17.723 19.000 0.056 0.000 0.810 475 A HN 1.225 nan 8.150 nan 0.000 0.448 476 S N -2.278 113.436 115.700 0.024 0.000 2.548 476 S HA 0.498 4.974 4.470 0.009 0.000 0.215 476 S C 0.854 175.276 174.600 -0.297 0.000 0.976 476 S CA 0.504 58.670 58.200 -0.057 0.000 0.908 476 S CB 0.019 63.187 63.200 -0.052 0.000 0.781 476 S HN 1.672 nan 8.310 nan 0.000 0.519 477 G N 0.615 109.076 108.800 -0.566 0.000 2.362 477 G HA2 0.247 4.212 3.960 0.009 0.000 0.288 477 G HA3 0.247 4.212 3.960 0.009 0.000 0.288 477 G C -1.719 172.819 174.900 -0.603 0.000 1.305 477 G CA -1.187 43.322 45.100 -0.985 0.000 0.910 477 G HN 0.237 nan 8.290 nan 0.000 0.518 478 L N 0.569 121.467 121.223 -0.542 0.000 2.331 478 L HA 0.561 4.907 4.340 0.009 0.000 0.278 478 L C 0.443 177.217 176.870 -0.161 0.000 1.106 478 L CA -0.306 54.330 54.840 -0.341 0.000 0.824 478 L CB 1.311 43.049 42.059 -0.535 0.000 1.142 478 L HN 0.564 nan 8.230 nan 0.000 0.443 479 K N 2.825 123.178 120.400 -0.078 0.000 2.376 479 K HA 0.524 4.849 4.320 0.009 0.000 0.257 479 K C -1.493 175.075 176.600 -0.053 0.000 0.939 479 K CA -0.555 55.698 56.287 -0.057 0.000 0.809 479 K CB 2.325 34.781 32.500 -0.074 0.000 1.121 479 K HN 0.334 nan 8.250 nan 0.000 0.425 480 V N 5.885 125.747 119.914 -0.086 0.000 2.349 480 V HA 0.540 4.665 4.120 0.009 0.000 0.284 480 V C 0.509 176.540 176.094 -0.106 0.000 1.014 480 V CA 0.872 63.083 62.300 -0.148 0.000 0.826 480 V CB 0.215 31.849 31.823 -0.315 0.000 1.009 480 V HN 1.120 nan 8.190 nan 0.000 0.431 481 G N 5.815 114.566 108.800 -0.083 0.000 2.634 481 G HA2 -0.397 3.569 3.960 0.009 0.000 0.318 481 G HA3 -0.397 3.569 3.960 0.009 0.000 0.318 481 G C 1.242 176.109 174.900 -0.054 0.000 1.207 481 G CA 1.284 46.346 45.100 -0.063 0.000 0.987 481 G HN 1.942 nan 8.290 nan 0.000 0.547 482 S N 0.731 116.402 115.700 -0.049 0.000 2.548 482 S HA 0.186 4.662 4.470 0.009 0.000 0.215 482 S C 0.686 175.260 174.600 -0.043 0.000 0.976 482 S CA 0.755 58.930 58.200 -0.041 0.000 0.908 482 S CB 0.019 63.199 63.200 -0.033 0.000 0.781 482 S HN 0.616 nan 8.310 nan 0.000 0.519 483 N N 2.152 120.823 118.700 -0.049 0.000 2.419 483 N HA 0.350 5.096 4.740 0.009 0.000 0.264 483 N C -1.250 174.235 175.510 -0.042 0.000 1.031 483 N CA -0.153 52.873 53.050 -0.040 0.000 0.951 483 N CB 1.842 40.308 38.487 -0.035 0.000 1.101 483 N HN 0.076 nan 8.380 nan 0.000 0.488 484 V N 2.261 122.144 119.914 -0.050 0.000 2.370 484 V HA 0.229 4.354 4.120 0.009 0.000 0.283 484 V C 0.413 176.456 176.094 -0.085 0.000 1.023 484 V CA -0.620 61.630 62.300 -0.084 0.000 0.857 484 V CB 1.359 33.122 31.823 -0.100 0.000 0.985 484 V HN 0.531 nan 8.190 nan 0.000 0.443 485 T N 4.906 119.389 114.554 -0.118 0.000 2.723 485 T HA 0.230 4.585 4.350 0.009 0.000 0.297 485 T C 0.065 174.626 174.700 -0.232 0.000 0.925 485 T CA -0.102 61.919 62.100 -0.130 0.000 1.030 485 T CB 0.671 69.443 68.868 -0.160 0.000 0.905 485 T HN 0.679 nan 8.240 nan 0.000 0.502 486 Q N 2.351 122.063 119.800 -0.146 0.000 2.330 486 Q HA 0.124 4.469 4.340 0.009 0.000 0.279 486 Q C -0.764 175.170 176.000 -0.109 0.000 1.024 486 Q CA 0.256 55.967 55.803 -0.153 0.000 0.900 486 Q CB 0.221 28.930 28.738 -0.048 0.000 1.221 486 Q HN 0.515 nan 8.270 nan 0.000 0.396 487 Y N 1.711 122.001 120.300 -0.017 0.000 2.397 487 Y HA 0.033 4.588 4.550 0.009 0.000 0.335 487 Y C 0.372 176.243 175.900 -0.049 0.000 1.213 487 Y CA -0.474 57.610 58.100 -0.027 0.000 1.391 487 Y CB 0.287 38.718 38.460 -0.049 0.000 1.293 487 Y HN 0.628 nan 8.280 nan 0.000 0.557 488 D N 1.150 121.597 120.400 0.077 0.000 2.506 488 D HA 0.230 4.875 4.640 0.009 0.000 0.234 488 D C -0.190 176.118 176.300 0.014 0.000 1.143 488 D CA 0.508 54.506 54.000 -0.003 0.000 0.871 488 D CB 0.504 41.271 40.800 -0.054 0.000 1.190 488 D HN 0.723 nan 8.370 nan 0.000 0.459 489 A N 2.396 125.238 122.820 0.036 0.000 2.584 489 A HA 0.277 4.603 4.320 0.009 0.000 0.239 489 A C 0.153 177.770 177.584 0.055 0.000 1.043 489 A CA 0.482 52.529 52.037 0.017 0.000 0.756 489 A CB 0.188 19.159 19.000 -0.047 0.000 0.963 489 A HN 0.361 nan 8.150 nan 0.000 0.511 490 S N 0.357 116.094 115.700 0.062 0.000 2.549 490 S HA 0.579 5.055 4.470 0.009 0.000 0.280 490 S C -0.759 173.901 174.600 0.099 0.000 1.109 490 S CA -0.525 57.734 58.200 0.099 0.000 0.905 490 S CB 1.836 65.168 63.200 0.219 0.000 1.081 490 S HN 0.710 nan 8.310 nan 0.000 0.477 491 V N 3.225 123.177 119.914 0.065 0.000 2.417 491 V HA 0.470 4.596 4.120 0.009 0.000 0.291 491 V C -0.460 175.720 176.094 0.144 0.000 1.024 491 V CA -0.778 61.575 62.300 0.089 0.000 0.861 491 V CB 1.455 33.299 31.823 0.035 0.000 0.985 491 V HN 0.703 nan 8.190 nan 0.000 0.436 492 K N 2.993 123.500 120.400 0.177 0.000 2.213 492 K HA 0.640 4.966 4.320 0.009 0.000 0.270 492 K C 0.673 177.350 176.600 0.130 0.000 1.002 492 K CA -0.031 56.380 56.287 0.205 0.000 0.868 492 K CB 1.765 34.360 32.500 0.158 0.000 1.093 492 K HN 0.859 nan 8.250 nan 0.000 0.454 493 G N 0.767 109.649 108.800 0.137 0.000 2.582 493 G HA2 0.340 4.306 3.960 0.009 0.000 0.232 493 G HA3 0.340 4.306 3.960 0.009 0.000 0.232 493 G C -0.332 174.619 174.900 0.085 0.000 1.458 493 G CA -0.178 44.982 45.100 0.100 0.000 1.062 493 G HN 0.608 nan 8.290 nan 0.000 0.566 494 T N -4.037 110.563 114.554 0.077 0.000 2.838 494 T HA 0.320 4.676 4.350 0.009 0.000 0.292 494 T C 0.454 175.194 174.700 0.066 0.000 1.113 494 T CA -0.656 61.481 62.100 0.063 0.000 1.008 494 T CB 1.543 70.442 68.868 0.053 0.000 1.259 494 T HN 0.311 nan 8.240 nan 0.000 0.520 495 N N -0.401 118.332 118.700 0.056 0.000 2.571 495 N HA 0.225 4.971 4.740 0.009 0.000 0.189 495 N C 0.937 176.482 175.510 0.058 0.000 1.154 495 N CA 0.093 53.178 53.050 0.058 0.000 0.907 495 N CB 0.070 38.586 38.487 0.048 0.000 0.977 495 N HN 0.760 nan 8.380 nan 0.000 0.449 496 G N -0.253 108.580 108.800 0.056 0.000 2.613 496 G HA2 0.633 4.598 3.960 0.009 0.000 0.303 496 G HA3 0.633 4.598 3.960 0.009 0.000 0.303 496 G C -0.679 174.260 174.900 0.064 0.000 1.312 496 G CA -0.651 44.481 45.100 0.055 0.000 1.036 496 G HN 0.150 nan 8.290 nan 0.000 0.513 497 A N 0.191 123.049 122.820 0.063 0.000 2.488 497 A HA 0.487 4.812 4.320 0.009 0.000 0.249 497 A C -0.281 177.348 177.584 0.075 0.000 1.083 497 A CA 0.058 52.139 52.037 0.073 0.000 0.768 497 A CB 0.034 19.075 19.000 0.068 0.000 1.017 497 A HN 0.536 nan 8.150 nan 0.000 0.496 498 D N 1.173 121.627 120.400 0.090 0.000 2.601 498 D HA 0.483 5.128 4.640 0.009 0.000 0.230 498 D C -0.916 175.444 176.300 0.100 0.000 1.106 498 D CA -0.130 53.920 54.000 0.083 0.000 0.873 498 D CB 2.009 42.856 40.800 0.078 0.000 1.515 498 D HN 0.389 nan 8.370 nan 0.000 0.468 499 T N 1.418 116.015 114.554 0.071 0.000 2.779 499 T HA 0.530 4.885 4.350 0.009 0.000 0.280 499 T C -0.034 174.659 174.700 -0.011 0.000 0.987 499 T CA -0.503 61.619 62.100 0.037 0.000 0.966 499 T CB 0.678 69.559 68.868 0.022 0.000 0.933 499 T HN 0.093 nan 8.240 nan 0.000 0.442 500 L N 3.840 125.041 121.223 -0.036 0.000 2.386 500 L HA 0.595 4.941 4.340 0.009 0.000 0.271 500 L C -0.138 176.670 176.870 -0.103 0.000 0.993 500 L CA -1.114 53.696 54.840 -0.050 0.000 0.819 500 L CB 1.785 43.831 42.059 -0.022 0.000 1.294 500 L HN 0.350 nan 8.230 nan 0.000 0.414 501 K N 2.593 122.918 120.400 -0.124 0.000 2.323 501 K HA 0.705 5.031 4.320 0.009 0.000 0.259 501 K C -0.671 175.813 176.600 -0.194 0.000 0.947 501 K CA -0.588 55.603 56.287 -0.159 0.000 0.819 501 K CB 2.635 35.034 32.500 -0.168 0.000 1.109 501 K HN 0.613 nan 8.250 nan 0.000 0.429 502 A N 3.261 125.973 122.820 -0.180 0.000 2.366 502 A HA 0.297 4.623 4.320 0.009 0.000 0.272 502 A C -0.473 177.026 177.584 -0.142 0.000 1.135 502 A CA -0.428 51.520 52.037 -0.148 0.000 0.804 502 A CB -0.270 18.612 19.000 -0.198 0.000 1.064 502 A HN 0.711 nan 8.150 nan 0.000 0.499 503 H N 1.125 120.149 119.070 -0.078 0.000 2.929 503 H HA 0.218 4.779 4.556 0.010 0.000 0.358 503 H C 1.446 176.739 175.328 -0.058 0.000 1.111 503 H CA 0.739 56.754 56.048 -0.054 0.000 1.409 503 H CB 0.553 30.291 29.762 -0.041 0.000 1.373 503 H HN 0.733 nan 8.280 nan 0.000 0.610 504 A N 2.255 125.121 122.820 0.076 0.000 2.121 504 A HA -0.056 4.270 4.320 0.009 0.000 0.218 504 A C 2.495 180.087 177.584 0.014 0.000 1.154 504 A CA 1.289 53.340 52.037 0.024 0.000 0.679 504 A CB -0.953 18.055 19.000 0.014 0.000 0.795 504 A HN 0.854 nan 8.150 nan 0.000 0.458 505 G N -0.784 108.033 108.800 0.029 0.000 2.471 505 G HA2 0.372 4.338 3.960 0.009 0.000 0.219 505 G HA3 0.372 4.338 3.960 0.009 0.000 0.219 505 G C 0.893 175.781 174.900 -0.019 0.000 1.125 505 G CA 0.727 45.826 45.100 -0.001 0.000 0.775 505 G HN 1.717 nan 8.290 nan 0.000 0.548 506 G N -0.665 108.122 108.800 -0.022 0.000 3.226 506 G HA2 0.152 4.118 3.960 0.009 0.000 0.685 506 G HA3 0.152 4.118 3.960 0.009 0.000 0.685 506 G C -1.532 173.331 174.900 -0.062 0.000 1.207 506 G CA -0.393 44.664 45.100 -0.072 0.000 0.877 506 G HN 0.189 nan 8.290 nan 0.000 0.585 507 D N 0.200 120.519 120.400 -0.135 0.000 2.547 507 D HA 0.539 5.184 4.640 0.009 0.000 0.231 507 D C -0.492 175.651 176.300 -0.261 0.000 1.099 507 D CA -0.332 53.606 54.000 -0.102 0.000 0.901 507 D CB 1.262 42.021 40.800 -0.069 0.000 1.478 507 D HN 0.344 nan 8.370 nan 0.000 0.471 508 W N 1.352 122.392 121.300 -0.433 0.000 2.345 508 W HA 0.357 5.022 4.660 0.008 0.000 0.308 508 W C 0.070 176.083 176.519 -0.845 0.000 1.273 508 W CA -0.314 56.597 57.345 -0.723 0.000 1.243 508 W CB 0.298 29.285 29.460 -0.788 0.000 1.260 508 W HN 0.008 nan 8.180 nan 0.000 0.509 509 L N 5.391 126.164 121.223 -0.751 0.000 2.277 509 L HA 0.365 4.710 4.340 0.009 0.000 0.284 509 L C -0.903 175.693 176.870 -0.457 0.000 1.028 509 L CA -0.798 53.715 54.840 -0.546 0.000 0.835 509 L CB 0.178 41.904 42.059 -0.555 0.000 1.215 509 L HN 0.195 nan 8.230 nan 0.000 0.425 510 F N 1.672 121.612 119.950 -0.016 0.000 2.303 510 F HA 0.304 4.836 4.527 0.009 0.000 0.368 510 F C 1.429 177.253 175.800 0.041 0.000 1.105 510 F CA -0.670 57.343 58.000 0.021 0.000 1.153 510 F CB 1.112 40.140 39.000 0.046 0.000 1.362 510 F HN 0.504 nan 8.300 nan 0.000 0.511 511 G N 3.000 111.919 108.800 0.198 0.000 2.408 511 G HA2 -0.015 3.951 3.960 0.009 0.000 0.217 511 G HA3 -0.015 3.951 3.960 0.009 0.000 0.217 511 G C 0.842 175.840 174.900 0.162 0.000 1.150 511 G CA 0.406 45.604 45.100 0.163 0.000 0.776 511 G HN 0.621 nan 8.290 nan 0.000 0.542 512 L N -1.242 120.089 121.223 0.180 0.000 7.734 512 L HA -0.204 4.141 4.340 0.009 0.000 0.095 512 L C -0.239 176.708 176.870 0.129 0.000 1.227 512 L CA 0.651 55.577 54.840 0.143 0.000 1.430 512 L CB -1.128 40.998 42.059 0.112 0.000 2.866 512 L HN 0.121 nan 8.230 nan 0.000 1.178 513 D N 0.518 120.981 120.400 0.105 0.000 2.361 513 D HA 0.477 5.123 4.640 0.009 0.000 0.239 513 D C 0.596 176.953 176.300 0.094 0.000 1.200 513 D CA 1.367 55.425 54.000 0.097 0.000 0.915 513 D CB 0.719 41.565 40.800 0.076 0.000 1.170 513 D HN 1.014 nan 8.370 nan 0.000 0.444 514 G N 0.645 109.498 108.800 0.089 0.000 2.707 514 G HA2 -0.161 3.804 3.960 0.009 0.000 0.686 514 G HA3 -0.161 3.804 3.960 0.009 0.000 0.686 514 G C -0.952 174.005 174.900 0.096 0.000 1.315 514 G CA -0.951 44.199 45.100 0.082 0.000 0.832 514 G HN 0.490 nan 8.290 nan 0.000 0.573 515 N N 1.866 120.618 118.700 0.087 0.000 2.414 515 N HA 0.479 5.225 4.740 0.009 0.000 0.256 515 N C -0.812 174.761 175.510 0.106 0.000 1.029 515 N CA -0.333 52.773 53.050 0.095 0.000 0.948 515 N CB 1.332 39.863 38.487 0.073 0.000 1.102 515 N HN 0.545 nan 8.380 nan 0.000 0.496 516 D N -0.166 120.313 120.400 0.132 0.000 2.299 516 D HA 0.162 4.808 4.640 0.009 0.000 0.243 516 D C -0.556 175.870 176.300 0.211 0.000 0.982 516 D CA -0.255 53.839 54.000 0.156 0.000 0.924 516 D CB 1.852 42.743 40.800 0.151 0.000 1.238 516 D HN 0.494 nan 8.370 nan 0.000 0.484 517 H N 1.225 120.348 119.070 0.089 0.000 2.638 517 H HA 0.352 4.914 4.556 0.009 0.000 0.317 517 H C -1.147 174.247 175.328 0.111 0.000 1.006 517 H CA -0.855 55.249 56.048 0.093 0.000 1.222 517 H CB 0.677 30.480 29.762 0.069 0.000 1.419 517 H HN -0.020 nan 8.280 nan 0.000 0.489 518 L N 7.241 128.635 121.223 0.286 0.000 2.276 518 L HA 0.318 4.664 4.340 0.009 0.000 0.286 518 L C -0.503 176.522 176.870 0.259 0.000 1.024 518 L CA -0.227 54.748 54.840 0.225 0.000 0.826 518 L CB 1.044 43.344 42.059 0.403 0.000 1.211 518 L HN 0.591 nan 8.230 nan 0.000 0.422 519 I N 3.221 123.807 120.570 0.027 0.000 2.307 519 I HA 0.450 4.625 4.170 0.009 0.000 0.289 519 I C 1.080 177.232 176.117 0.058 0.000 1.021 519 I CA -0.244 61.078 61.300 0.038 0.000 1.224 519 I CB 1.195 39.113 38.000 -0.136 0.000 1.376 519 I HN 0.640 nan 8.210 nan 0.000 0.470 520 G N 3.725 112.674 108.800 0.247 0.000 2.621 520 G HA2 0.642 4.608 3.960 0.009 0.000 0.271 520 G HA3 0.642 4.608 3.960 0.009 0.000 0.271 520 G C 0.012 174.935 174.900 0.038 0.000 1.236 520 G CA -0.168 45.001 45.100 0.114 0.000 0.958 520 G HN 0.732 nan 8.290 nan 0.000 0.512 521 G N -2.532 106.261 108.800 -0.011 0.000 3.176 521 G HA2 0.506 4.472 3.960 0.009 0.000 0.272 521 G HA3 0.506 4.472 3.960 0.009 0.000 0.272 521 G C 0.911 175.810 174.900 -0.003 0.000 1.349 521 G CA 0.394 45.486 45.100 -0.013 0.000 0.953 521 G HN 1.233 nan 8.290 nan 0.000 0.559 522 V N -1.530 118.379 119.914 -0.007 0.000 3.141 522 V HA 0.301 4.427 4.120 0.009 0.000 0.265 522 V C 1.384 177.466 176.094 -0.021 0.000 1.126 522 V CA 1.018 63.313 62.300 -0.008 0.000 1.141 522 V CB -1.144 30.675 31.823 -0.006 0.000 0.743 522 V HN 0.783 nan 8.190 nan 0.000 0.492 523 G N 0.697 109.478 108.800 -0.032 0.000 2.621 523 G HA2 0.247 4.213 3.960 0.009 0.000 0.271 523 G HA3 0.247 4.213 3.960 0.009 0.000 0.271 523 G C -0.410 174.444 174.900 -0.076 0.000 1.236 523 G CA -0.684 44.387 45.100 -0.049 0.000 0.958 523 G HN 0.410 nan 8.290 nan 0.000 0.512 524 N N 1.463 120.107 118.700 -0.094 0.000 2.415 524 N HA 0.211 4.956 4.740 0.009 0.000 0.246 524 N C -0.634 174.744 175.510 -0.221 0.000 1.078 524 N CA 0.013 52.982 53.050 -0.135 0.000 0.942 524 N CB 0.970 39.390 38.487 -0.113 0.000 1.140 524 N HN 0.372 nan 8.380 nan 0.000 0.501 525 D N 0.442 120.662 120.400 -0.299 0.000 2.268 525 D HA 0.387 5.032 4.640 0.009 0.000 0.249 525 D C -0.178 175.710 176.300 -0.687 0.000 1.008 525 D CA -0.429 53.258 54.000 -0.521 0.000 0.939 525 D CB 2.339 42.709 40.800 -0.718 0.000 1.170 525 D HN 0.001 nan 8.370 nan 0.000 0.468 526 V N 1.817 121.153 119.914 -0.963 0.000 2.407 526 V HA 0.305 4.431 4.120 0.009 0.000 0.291 526 V C -0.694 174.791 176.094 -1.015 0.000 1.018 526 V CA -0.724 60.900 62.300 -1.125 0.000 0.842 526 V CB 0.819 31.451 31.823 -1.984 0.000 0.996 526 V HN 0.354 nan 8.190 nan 0.000 0.426 527 F N 3.693 123.150 119.950 -0.822 0.000 2.415 527 F HA 0.613 5.145 4.527 0.009 0.000 0.348 527 F C 0.192 175.687 175.800 -0.507 0.000 1.119 527 F CA -0.656 56.995 58.000 -0.581 0.000 1.069 527 F CB 1.937 40.647 39.000 -0.483 0.000 1.124 527 F HN 0.202 nan 8.300 nan 0.000 0.472 528 V N 3.671 123.466 119.914 -0.199 0.000 2.380 528 V HA 0.227 4.352 4.120 0.009 0.000 0.268 528 V C 0.888 177.004 176.094 0.036 0.000 1.008 528 V CA -0.542 61.691 62.300 -0.111 0.000 0.823 528 V CB 0.723 32.566 31.823 0.033 0.000 1.053 528 V HN 1.037 nan 8.190 nan 0.000 0.446 529 G N 2.380 111.200 108.800 0.033 0.000 2.469 529 G HA2 0.216 4.181 3.960 0.009 0.000 0.220 529 G HA3 0.216 4.181 3.960 0.009 0.000 0.220 529 G C 0.985 175.987 174.900 0.171 0.000 1.136 529 G CA 1.143 46.325 45.100 0.137 0.000 0.759 529 G HN 1.509 nan 8.290 nan 0.000 0.562 530 G N -0.861 108.046 108.800 0.177 0.000 2.693 530 G HA2 0.290 4.256 3.960 0.009 0.000 0.226 530 G HA3 0.290 4.256 3.960 0.009 0.000 0.226 530 G C 0.341 175.379 174.900 0.231 0.000 1.354 530 G CA 0.103 45.327 45.100 0.207 0.000 0.873 530 G HN 1.517 nan 8.290 nan 0.000 0.562 531 A N -0.352 122.587 122.820 0.198 0.000 2.483 531 A HA 0.811 5.137 4.320 0.009 0.000 0.238 531 A C 1.746 179.425 177.584 0.158 0.000 1.070 531 A CA 2.183 54.326 52.037 0.177 0.000 0.770 531 A CB -0.156 18.924 19.000 0.133 0.000 1.008 531 A HN 3.000 nan 8.150 nan 0.000 0.497 532 G N 1.062 109.947 108.800 0.142 0.000 2.655 532 G HA2 -0.072 3.893 3.960 0.009 0.000 0.680 532 G HA3 -0.072 3.893 3.960 0.009 0.000 0.680 532 G C -0.816 174.170 174.900 0.143 0.000 1.302 532 G CA -0.428 44.744 45.100 0.120 0.000 0.872 532 G HN 1.036 nan 8.290 nan 0.000 0.540 533 N N 2.116 120.885 118.700 0.115 0.000 2.462 533 N HA 0.402 5.147 4.740 0.009 0.000 0.242 533 N C -0.852 174.733 175.510 0.123 0.000 1.010 533 N CA -0.210 52.911 53.050 0.118 0.000 0.939 533 N CB 1.046 39.580 38.487 0.078 0.000 1.127 533 N HN 0.535 nan 8.380 nan 0.000 0.509 534 D N 1.249 121.745 120.400 0.160 0.000 2.252 534 D HA 0.266 4.912 4.640 0.009 0.000 0.245 534 D C -0.225 176.155 176.300 0.133 0.000 1.009 534 D CA -0.536 53.558 54.000 0.157 0.000 0.870 534 D CB 2.543 43.458 40.800 0.192 0.000 1.251 534 D HN 0.191 nan 8.370 nan 0.000 0.460 535 L N 1.524 122.821 121.223 0.124 0.000 2.287 535 L HA 0.445 4.791 4.340 0.009 0.000 0.287 535 L C -1.135 175.857 176.870 0.204 0.000 1.022 535 L CA -0.189 54.707 54.840 0.093 0.000 0.814 535 L CB 0.953 42.983 42.059 -0.048 0.000 1.217 535 L HN 0.310 nan 8.230 nan 0.000 0.420 536 M N 4.763 124.433 119.600 0.117 0.000 2.093 536 M HA 0.444 4.930 4.480 0.009 0.000 0.297 536 M C -0.959 175.306 176.300 -0.058 0.000 0.938 536 M CA -0.370 54.971 55.300 0.069 0.000 0.920 536 M CB 1.780 34.351 32.600 -0.049 0.000 1.517 536 M HN 0.525 nan 8.290 nan 0.000 0.427 537 E N 0.933 121.189 120.200 0.093 0.000 2.166 537 E HA 0.285 4.641 4.350 0.009 0.000 0.275 537 E C 0.440 177.146 176.600 0.176 0.000 0.941 537 E CA -0.386 56.068 56.400 0.090 0.000 0.784 537 E CB 2.124 31.918 29.700 0.156 0.000 1.115 537 E HN 0.651 nan 8.360 nan 0.000 0.399 538 S N 3.378 119.168 115.700 0.150 0.000 2.369 538 S HA -0.205 4.271 4.470 0.009 0.000 0.225 538 S C 1.706 176.447 174.600 0.235 0.000 1.043 538 S CA 2.205 60.563 58.200 0.263 0.000 1.074 538 S CB -0.608 62.715 63.200 0.205 0.000 0.962 538 S HN 1.023 nan 8.310 nan 0.000 0.433 539 G N -0.305 108.579 108.800 0.140 0.000 2.179 539 G HA2 0.105 4.070 3.960 0.009 0.000 0.260 539 G HA3 0.105 4.070 3.960 0.009 0.000 0.260 539 G C 1.437 176.369 174.900 0.053 0.000 0.977 539 G CA 0.582 45.734 45.100 0.088 0.000 0.641 539 G HN 1.906 nan 8.290 nan 0.000 0.533 540 G N -1.594 107.239 108.800 0.055 0.000 2.447 540 G HA2 0.519 4.484 3.960 0.009 0.000 0.220 540 G HA3 0.519 4.484 3.960 0.009 0.000 0.220 540 G C 1.097 176.000 174.900 0.004 0.000 1.261 540 G CA 1.038 46.150 45.100 0.020 0.000 1.000 540 G HN 2.624 nan 8.290 nan 0.000 0.515 541 G N -0.956 107.833 108.800 -0.017 0.000 2.641 541 G HA2 0.385 4.351 3.960 0.009 0.000 0.254 541 G HA3 0.385 4.351 3.960 0.009 0.000 0.254 541 G C 0.496 175.366 174.900 -0.050 0.000 1.315 541 G CA 1.373 46.452 45.100 -0.035 0.000 0.907 541 G HN 2.643 nan 8.290 nan 0.000 0.572 542 A N 0.362 123.141 122.820 -0.067 0.000 2.399 542 A HA 0.643 4.968 4.320 0.009 0.000 0.327 542 A C -0.439 177.079 177.584 -0.111 0.000 1.367 542 A CA -0.135 51.851 52.037 -0.084 0.000 0.842 542 A CB 0.680 19.633 19.000 -0.078 0.000 1.142 542 A HN 0.568 nan 8.150 nan 0.000 0.495 543 D N 1.057 121.392 120.400 -0.108 0.000 2.277 543 D HA 0.637 5.283 4.640 0.009 0.000 0.250 543 D C -0.259 175.894 176.300 -0.245 0.000 1.032 543 D CA 0.277 54.161 54.000 -0.192 0.000 0.947 543 D CB 1.725 42.432 40.800 -0.155 0.000 1.159 543 D HN 0.335 nan 8.370 nan 0.000 0.460 544 T N 0.989 115.278 114.554 -0.442 0.000 2.841 544 T HA 0.471 4.827 4.350 0.009 0.000 0.285 544 T C -0.697 173.636 174.700 -0.612 0.000 0.991 544 T CA -0.513 61.354 62.100 -0.389 0.000 0.966 544 T CB 0.396 69.031 68.868 -0.389 0.000 0.962 544 T HN 0.078 nan 8.240 nan 0.000 0.438 545 F N 2.949 122.781 119.950 -0.197 0.000 2.375 545 F HA 0.542 5.075 4.527 0.009 0.000 0.361 545 F C -0.190 175.169 175.800 -0.736 0.000 1.117 545 F CA -1.104 56.650 58.000 -0.409 0.000 1.037 545 F CB 1.103 39.913 39.000 -0.317 0.000 1.192 545 F HN 0.259 nan 8.300 nan 0.000 0.452 546 L N 5.096 125.910 121.223 -0.682 0.000 2.289 546 L HA 0.610 4.956 4.340 0.009 0.000 0.285 546 L C -1.397 174.910 176.870 -0.938 0.000 1.049 546 L CA -0.572 53.897 54.840 -0.618 0.000 0.804 546 L CB 0.226 42.098 42.059 -0.312 0.000 1.195 546 L HN 0.352 nan 8.230 nan 0.000 0.428 547 F N 5.101 124.769 119.950 -0.470 0.000 2.518 547 F HA 0.512 5.044 4.527 0.009 0.000 0.323 547 F C 0.094 175.744 175.800 -0.250 0.000 1.129 547 F CA -0.657 56.996 58.000 -0.579 0.000 0.920 547 F CB 1.532 39.707 39.000 -1.374 0.000 1.160 547 F HN 0.573 nan 8.300 nan 0.000 0.440 548 N N 1.953 120.768 118.700 0.192 0.000 2.308 548 N HA 0.556 5.302 4.740 0.009 0.000 0.283 548 N C 0.049 175.788 175.510 0.382 0.000 1.105 548 N CA 0.288 53.507 53.050 0.280 0.000 0.840 548 N CB 2.379 41.005 38.487 0.231 0.000 1.633 548 N HN 0.864 nan 8.380 nan 0.000 0.476 549 G N 1.831 110.840 108.800 0.349 0.000 2.552 549 G HA2 -0.189 3.777 3.960 0.009 0.000 0.265 549 G HA3 -0.189 3.777 3.960 0.009 0.000 0.265 549 G C -0.084 174.993 174.900 0.295 0.000 1.234 549 G CA 0.123 45.399 45.100 0.294 0.000 0.944 549 G HN 1.166 nan 8.290 nan 0.000 0.568 550 A N 0.199 123.128 122.820 0.182 0.000 3.004 550 A HA 0.622 4.947 4.320 0.009 0.000 0.286 550 A C 0.799 178.428 177.584 0.076 0.000 1.632 550 A CA 0.709 52.777 52.037 0.052 0.000 1.339 550 A CB -1.026 17.998 19.000 0.040 0.000 1.136 550 A HN 1.687 nan 8.150 nan 0.000 0.577 551 F N 0.352 120.410 119.950 0.179 0.000 2.811 551 F HA 0.473 5.006 4.527 0.010 0.000 0.301 551 F C 0.942 176.858 175.800 0.194 0.000 1.151 551 F CA -0.031 58.097 58.000 0.213 0.000 1.412 551 F CB -0.559 38.630 39.000 0.316 0.000 1.113 551 F HN 0.728 nan 8.300 nan 0.000 0.579 552 G N 1.165 109.894 108.800 -0.119 0.000 2.615 552 G HA2 -0.124 3.841 3.960 0.009 0.000 0.218 552 G HA3 -0.124 3.841 3.960 0.009 0.000 0.218 552 G C -1.171 173.729 174.900 0.001 0.000 1.339 552 G CA -0.471 44.622 45.100 -0.011 0.000 0.884 552 G HN 0.435 nan 8.290 nan 0.000 0.559 553 Q N 1.250 121.090 119.800 0.068 0.000 2.340 553 Q HA 0.554 4.900 4.340 0.009 0.000 0.259 553 Q C -1.021 175.069 176.000 0.150 0.000 0.964 553 Q CA -0.484 55.375 55.803 0.093 0.000 0.900 553 Q CB 1.896 30.658 28.738 0.041 0.000 1.228 553 Q HN 0.600 nan 8.270 nan 0.000 0.449 554 D N 1.655 122.179 120.400 0.206 0.000 2.350 554 D HA 0.483 5.129 4.640 0.009 0.000 0.238 554 D C -0.369 175.990 176.300 0.098 0.000 0.989 554 D CA -0.610 53.511 54.000 0.202 0.000 0.921 554 D CB 1.886 42.899 40.800 0.355 0.000 1.297 554 D HN 0.215 nan 8.370 nan 0.000 0.490 555 R N 0.451 120.986 120.500 0.058 0.000 2.513 555 R HA 0.562 4.908 4.340 0.009 0.000 0.301 555 R C -1.173 175.092 176.300 -0.058 0.000 0.968 555 R CA -0.756 55.336 56.100 -0.012 0.000 0.872 555 R CB 2.031 32.322 30.300 -0.014 0.000 1.177 555 R HN 0.108 nan 8.270 nan 0.000 0.444 556 V N 4.452 124.276 119.914 -0.151 0.000 2.409 556 V HA 0.385 4.511 4.120 0.009 0.000 0.291 556 V C -0.321 175.654 176.094 -0.197 0.000 1.020 556 V CA -0.743 61.379 62.300 -0.296 0.000 0.848 556 V CB 1.896 33.355 31.823 -0.607 0.000 0.990 556 V HN 0.440 nan 8.190 nan 0.000 0.430 557 V N 3.704 123.544 119.914 -0.124 0.000 2.581 557 V HA 0.794 4.920 4.120 0.009 0.000 0.303 557 V C 1.065 177.160 176.094 0.002 0.000 1.041 557 V CA 0.606 62.883 62.300 -0.039 0.000 0.907 557 V CB 1.316 33.139 31.823 0.000 0.000 0.994 557 V HN 1.141 nan 8.190 nan 0.000 0.442 558 G N 3.944 112.764 108.800 0.033 0.000 2.157 558 G HA2 -0.283 3.683 3.960 0.009 0.000 0.248 558 G HA3 -0.283 3.683 3.960 0.009 0.000 0.248 558 G C 0.061 175.009 174.900 0.080 0.000 0.979 558 G CA 0.207 45.340 45.100 0.056 0.000 0.650 558 G HN 0.817 nan 8.290 nan 0.000 0.529 559 F N 3.341 123.243 119.950 -0.079 0.000 2.571 559 F HA 0.471 5.003 4.527 0.009 0.000 0.384 559 F C 1.153 176.929 175.800 -0.039 0.000 1.058 559 F CA 1.116 59.068 58.000 -0.080 0.000 1.200 559 F CB 0.623 39.501 39.000 -0.203 0.000 1.077 559 F HN 0.375 nan 8.300 nan 0.000 0.558 560 T N 0.942 115.205 114.554 -0.484 0.000 2.807 560 T HA 0.229 4.585 4.350 0.009 0.000 0.277 560 T C 0.852 175.219 174.700 -0.557 0.000 1.006 560 T CA -0.210 61.681 62.100 -0.348 0.000 1.006 560 T CB 1.249 70.009 68.868 -0.181 0.000 1.274 560 T HN 0.441 nan 8.240 nan 0.000 0.569 561 S N 0.761 116.293 115.700 -0.280 0.000 2.442 561 S HA -0.102 4.373 4.470 0.009 0.000 0.236 561 S C 1.565 176.040 174.600 -0.210 0.000 1.007 561 S CA 1.540 59.616 58.200 -0.208 0.000 0.965 561 S CB -0.911 62.228 63.200 -0.102 0.000 0.773 561 S HN 0.824 nan 8.310 nan 0.000 0.504 562 N N 0.562 119.131 118.700 -0.217 0.000 2.270 562 N HA 0.081 4.826 4.740 0.009 0.000 0.198 562 N C -0.591 174.806 175.510 -0.188 0.000 1.117 562 N CA -0.095 52.858 53.050 -0.162 0.000 0.845 562 N CB -0.216 38.206 38.487 -0.108 0.000 0.980 562 N HN 0.198 nan 8.380 nan 0.000 0.486 563 D N 0.583 120.781 120.400 -0.337 0.000 2.432 563 D HA 0.289 4.934 4.640 0.009 0.000 0.258 563 D C -0.490 175.738 176.300 -0.120 0.000 1.146 563 D CA -0.091 53.747 54.000 -0.270 0.000 1.015 563 D CB 1.437 42.008 40.800 -0.381 0.000 1.107 563 D HN 0.123 nan 8.370 nan 0.000 0.529 564 K N 0.438 120.928 120.400 0.150 0.000 2.535 564 K HA 0.436 4.761 4.320 0.009 0.000 0.251 564 K C -1.487 175.306 176.600 0.320 0.000 0.942 564 K CA -0.550 55.859 56.287 0.204 0.000 0.798 564 K CB 1.148 33.683 32.500 0.059 0.000 1.267 564 K HN 0.295 nan 8.250 nan 0.000 0.434 565 L N 3.397 124.771 121.223 0.251 0.000 2.334 565 L HA 0.641 4.987 4.340 0.009 0.000 0.275 565 L C -0.710 176.083 176.870 -0.128 0.000 1.036 565 L CA -1.319 53.571 54.840 0.084 0.000 0.807 565 L CB 1.896 43.968 42.059 0.021 0.000 1.231 565 L HN 0.304 nan 8.230 nan 0.000 0.438 566 V N 2.673 122.388 119.914 -0.331 0.000 2.488 566 V HA 0.365 4.491 4.120 0.009 0.000 0.293 566 V C -0.904 174.875 176.094 -0.525 0.000 1.027 566 V CA -0.368 61.708 62.300 -0.373 0.000 0.862 566 V CB 1.544 33.189 31.823 -0.296 0.000 1.008 566 V HN 0.384 nan 8.190 nan 0.000 0.428 567 F N 6.041 125.884 119.950 -0.178 0.000 2.385 567 F HA 0.716 5.248 4.527 0.009 0.000 0.360 567 F C -0.240 175.475 175.800 -0.143 0.000 1.122 567 F CA -0.691 57.145 58.000 -0.273 0.000 1.090 567 F CB 1.533 40.134 39.000 -0.666 0.000 1.150 567 F HN 0.255 nan 8.300 nan 0.000 0.472 568 L N 2.960 124.242 121.223 0.097 0.000 2.482 568 L HA 0.656 5.002 4.340 0.009 0.000 0.269 568 L C 0.226 177.260 176.870 0.272 0.000 0.967 568 L CA -0.553 54.391 54.840 0.174 0.000 0.851 568 L CB 1.521 43.658 42.059 0.131 0.000 1.242 568 L HN 0.727 nan 8.230 nan 0.000 0.404 569 G N 3.546 112.585 108.800 0.399 0.000 2.246 569 G HA2 -0.093 3.873 3.960 0.009 0.000 0.273 569 G HA3 -0.093 3.873 3.960 0.009 0.000 0.273 569 G C -0.136 174.921 174.900 0.263 0.000 1.055 569 G CA 0.429 45.738 45.100 0.348 0.000 0.851 569 G HN 1.271 nan 8.290 nan 0.000 0.500 570 V N -3.558 116.493 119.914 0.228 0.000 2.769 570 V HA 0.826 4.951 4.120 0.009 0.000 0.312 570 V C 0.427 176.648 176.094 0.211 0.000 1.058 570 V CA -1.551 60.899 62.300 0.250 0.000 0.952 570 V CB 1.927 33.890 31.823 0.232 0.000 1.019 570 V HN 0.285 nan 8.190 nan 0.000 0.445 571 Q N 1.624 121.556 119.800 0.220 0.000 2.392 571 Q HA 0.363 4.708 4.340 0.009 0.000 0.262 571 Q C 1.231 177.367 176.000 0.227 0.000 1.003 571 Q CA 1.034 56.942 55.803 0.175 0.000 0.888 571 Q CB 0.828 29.641 28.738 0.124 0.000 1.260 571 Q HN 1.805 nan 8.270 nan 0.000 0.435 572 G N 0.999 109.897 108.800 0.163 0.000 2.136 572 G HA2 -0.242 3.724 3.960 0.009 0.000 0.242 572 G HA3 -0.242 3.724 3.960 0.009 0.000 0.242 572 G C -0.031 175.035 174.900 0.277 0.000 0.989 572 G CA 0.083 45.293 45.100 0.184 0.000 0.682 572 G HN 0.416 nan 8.290 nan 0.000 0.522 573 V N 2.119 122.177 119.914 0.239 0.000 2.372 573 V HA 0.439 4.565 4.120 0.009 0.000 0.261 573 V C 1.162 177.366 176.094 0.184 0.000 1.055 573 V CA -0.285 62.162 62.300 0.245 0.000 0.930 573 V CB 0.953 32.899 31.823 0.205 0.000 1.031 573 V HN 0.348 nan 8.190 nan 0.000 0.479 574 L N 6.895 128.222 121.223 0.175 0.000 2.418 574 L HA 0.372 4.717 4.340 0.009 0.000 0.265 574 L C -2.034 174.904 176.870 0.114 0.000 1.143 574 L CA -1.860 53.043 54.840 0.106 0.000 0.809 574 L CB 0.741 42.836 42.059 0.060 0.000 1.124 574 L HN 0.373 nan 8.230 nan 0.000 0.456 575 P HA -0.065 nan 4.420 nan 0.000 0.258 575 P C 0.007 177.364 177.300 0.095 0.000 1.172 575 P CA 0.724 63.887 63.100 0.105 0.000 0.762 575 P CB 0.203 31.956 31.700 0.089 0.000 0.764 576 N N 0.952 119.715 118.700 0.105 0.000 2.863 576 N HA -0.203 4.543 4.740 0.009 0.000 0.245 576 N C -0.563 175.001 175.510 0.090 0.000 1.001 576 N CA 0.990 54.096 53.050 0.093 0.000 0.901 576 N CB -1.717 36.816 38.487 0.075 0.000 1.124 576 N HN 0.445 nan 8.380 nan 0.000 0.582 577 D N 1.119 121.585 120.400 0.109 0.000 2.836 577 D HA -0.032 4.614 4.640 0.009 0.000 0.220 577 D C 0.483 176.863 176.300 0.132 0.000 1.094 577 D CA 1.092 55.172 54.000 0.132 0.000 0.820 577 D CB 0.261 41.214 40.800 0.255 0.000 1.171 577 D HN 0.486 nan 8.370 nan 0.000 0.507 578 D N 0.309 120.760 120.400 0.085 0.000 2.494 578 D HA 0.162 4.808 4.640 0.009 0.000 0.259 578 D C 1.077 177.431 176.300 0.090 0.000 1.109 578 D CA -0.814 53.240 54.000 0.090 0.000 1.040 578 D CB -0.075 40.729 40.800 0.007 0.000 1.175 578 D HN 0.305 nan 8.370 nan 0.000 0.584 579 F N -0.252 119.764 119.950 0.111 0.000 2.250 579 F HA 0.033 4.566 4.527 0.009 0.000 0.301 579 F C 1.860 177.687 175.800 0.044 0.000 1.077 579 F CA 0.681 58.739 58.000 0.097 0.000 1.348 579 F CB -0.506 38.542 39.000 0.081 0.000 1.040 579 F HN 0.109 nan 8.300 nan 0.000 0.509 580 R N 0.858 120.839 120.500 -0.865 0.000 2.241 580 R HA 0.027 4.372 4.340 0.009 0.000 0.224 580 R C 2.244 178.361 176.300 -0.305 0.000 1.101 580 R CA 0.833 56.567 56.100 -0.610 0.000 0.995 580 R CB -0.560 29.354 30.300 -0.644 0.000 0.870 580 R HN 0.487 nan 8.270 nan 0.000 0.463 581 A N -0.345 122.326 122.820 -0.249 0.000 2.208 581 A HA -0.039 4.287 4.320 0.009 0.000 0.209 581 A C 0.774 177.998 177.584 -0.601 0.000 1.161 581 A CA 0.852 52.686 52.037 -0.337 0.000 0.782 581 A CB -0.079 18.753 19.000 -0.280 0.000 0.816 581 A HN 0.320 nan 8.150 nan 0.000 0.477 582 H N -1.844 117.058 119.070 -0.279 0.000 3.360 582 H HA 0.523 5.085 4.556 0.009 0.000 0.262 582 H C 0.505 175.652 175.328 -0.302 0.000 1.149 582 H CA 0.350 56.141 56.048 -0.428 0.000 1.181 582 H CB 0.696 29.967 29.762 -0.819 0.000 1.564 582 H HN 0.408 nan 8.280 nan 0.000 0.565 583 A N 1.155 123.926 122.820 -0.082 0.000 2.304 583 A HA 0.666 4.992 4.320 0.009 0.000 0.323 583 A C -0.031 177.525 177.584 -0.046 0.000 1.195 583 A CA -0.213 51.819 52.037 -0.008 0.000 0.826 583 A CB 0.591 19.695 19.000 0.172 0.000 1.184 583 A HN 0.285 nan 8.150 nan 0.000 0.496 584 S N 2.502 118.176 115.700 -0.044 0.000 2.627 584 S HA 0.779 5.254 4.470 0.009 0.000 0.283 584 S C -0.526 174.056 174.600 -0.029 0.000 1.127 584 S CA -0.861 57.313 58.200 -0.042 0.000 0.863 584 S CB 1.133 64.295 63.200 -0.062 0.000 1.121 584 S HN 0.529 nan 8.310 nan 0.000 0.479 585 M N 2.019 121.604 119.600 -0.025 0.000 2.216 585 M HA 0.440 4.926 4.480 0.009 0.000 0.356 585 M C -0.974 175.309 176.300 -0.028 0.000 1.205 585 M CA -0.603 54.684 55.300 -0.022 0.000 1.122 585 M CB 1.068 33.659 32.600 -0.015 0.000 1.571 585 M HN 0.612 nan 8.290 nan 0.000 0.464 586 V N 3.141 123.038 119.914 -0.028 0.000 2.380 586 V HA 0.531 4.656 4.120 0.009 0.000 0.272 586 V C 0.798 176.878 176.094 -0.023 0.000 1.011 586 V CA 0.226 62.509 62.300 -0.027 0.000 0.826 586 V CB 0.523 32.328 31.823 -0.030 0.000 1.040 586 V HN 1.175 nan 8.190 nan 0.000 0.441 587 G N 4.298 113.087 108.800 -0.019 0.000 2.574 587 G HA2 -0.300 3.666 3.960 0.009 0.000 0.301 587 G HA3 -0.300 3.666 3.960 0.009 0.000 0.301 587 G C 0.707 175.598 174.900 -0.015 0.000 1.166 587 G CA 0.683 45.774 45.100 -0.016 0.000 0.971 587 G HN 0.493 nan 8.290 nan 0.000 0.542 588 Q N 1.790 121.582 119.800 -0.014 0.000 2.408 588 Q HA 0.163 4.508 4.340 0.009 0.000 0.205 588 Q C 0.053 176.044 176.000 -0.016 0.000 0.919 588 Q CA 0.855 56.650 55.803 -0.012 0.000 0.932 588 Q CB 0.288 29.021 28.738 -0.010 0.000 1.058 588 Q HN 0.666 nan 8.270 nan 0.000 0.517 589 D N 0.695 121.081 120.400 -0.024 0.000 2.168 589 D HA 0.180 4.825 4.640 0.009 0.000 0.246 589 D C -0.327 175.949 176.300 -0.041 0.000 1.050 589 D CA -0.114 53.864 54.000 -0.036 0.000 0.857 589 D CB 1.513 42.288 40.800 -0.041 0.000 1.169 589 D HN -0.243 nan 8.370 nan 0.000 0.453 590 T N 1.026 115.546 114.554 -0.056 0.000 2.851 590 T HA 0.303 4.659 4.350 0.009 0.000 0.298 590 T C 0.168 174.823 174.700 -0.074 0.000 0.977 590 T CA -0.335 61.730 62.100 -0.058 0.000 1.126 590 T CB 0.739 69.566 68.868 -0.069 0.000 0.916 590 T HN 0.013 nan 8.240 nan 0.000 0.529 591 V N 5.490 125.370 119.914 -0.057 0.000 2.448 591 V HA 0.444 4.570 4.120 0.009 0.000 0.295 591 V C -0.280 175.776 176.094 -0.064 0.000 1.025 591 V CA -0.840 61.425 62.300 -0.059 0.000 0.859 591 V CB 1.395 33.188 31.823 -0.050 0.000 0.988 591 V HN 0.681 nan 8.190 nan 0.000 0.431 592 L N 5.392 126.579 121.223 -0.061 0.000 2.296 592 L HA 0.592 4.937 4.340 0.009 0.000 0.286 592 L C 0.012 176.822 176.870 -0.099 0.000 1.023 592 L CA -0.233 54.548 54.840 -0.098 0.000 0.812 592 L CB 1.332 43.367 42.059 -0.041 0.000 1.223 592 L HN 0.501 nan 8.230 nan 0.000 0.421 593 K N 3.463 123.683 120.400 -0.300 0.000 2.376 593 K HA 0.605 4.931 4.320 0.009 0.000 0.257 593 K C -1.524 174.764 176.600 -0.520 0.000 0.939 593 K CA -0.416 55.732 56.287 -0.232 0.000 0.809 593 K CB 1.787 34.186 32.500 -0.168 0.000 1.121 593 K HN 0.260 nan 8.250 nan 0.000 0.425 594 F N 1.778 121.728 119.950 0.000 0.000 2.646 594 F HA 0.274 4.807 4.527 0.009 0.000 0.364 594 F C 0.948 176.733 175.800 -0.024 0.000 1.137 594 F CA -0.329 57.676 58.000 0.008 0.000 1.085 594 F CB 1.510 40.519 39.000 0.016 0.000 1.331 594 F HN 0.879 nan 8.300 nan 0.000 0.472 595 G N 2.158 111.011 108.800 0.089 0.000 2.622 595 G HA2 -0.306 3.659 3.960 0.009 0.000 0.307 595 G HA3 -0.306 3.659 3.960 0.009 0.000 0.307 595 G C 1.315 176.205 174.900 -0.016 0.000 1.226 595 G CA 0.192 45.311 45.100 0.031 0.000 0.997 595 G HN 1.116 nan 8.290 nan 0.000 0.551 596 G N 0.290 109.068 108.800 -0.036 0.000 2.920 596 G HA2 0.355 4.321 3.960 0.009 0.000 0.208 596 G HA3 0.355 4.321 3.960 0.009 0.000 0.208 596 G C 0.310 175.141 174.900 -0.115 0.000 1.159 596 G CA 1.160 46.224 45.100 -0.060 0.000 0.784 596 G HN 0.681 nan 8.290 nan 0.000 0.535 597 D N 0.144 120.428 120.400 -0.194 0.000 2.268 597 D HA 0.528 5.173 4.640 0.009 0.000 0.249 597 D C -0.141 176.033 176.300 -0.209 0.000 1.008 597 D CA 0.075 53.817 54.000 -0.431 0.000 0.939 597 D CB 1.932 42.050 40.800 -1.137 0.000 1.170 597 D HN 0.228 nan 8.370 nan 0.000 0.468 598 S N -0.836 114.826 115.700 -0.064 0.000 2.547 598 S HA 0.548 5.023 4.470 0.009 0.000 0.270 598 S C -1.222 173.563 174.600 0.308 0.000 1.150 598 S CA -0.843 57.466 58.200 0.181 0.000 0.850 598 S CB 1.415 64.643 63.200 0.046 0.000 1.118 598 S HN 0.150 nan 8.310 nan 0.000 0.461 599 V N 1.774 121.798 119.914 0.184 0.000 2.448 599 V HA 0.619 4.745 4.120 0.009 0.000 0.295 599 V C -0.266 175.802 176.094 -0.045 0.000 1.025 599 V CA -0.421 61.882 62.300 0.005 0.000 0.859 599 V CB 1.842 33.498 31.823 -0.279 0.000 0.988 599 V HN 1.026 nan 8.190 nan 0.000 0.431 600 T N 6.392 120.912 114.554 -0.055 0.000 2.756 600 T HA 0.516 4.872 4.350 0.009 0.000 0.290 600 T C -0.099 174.518 174.700 -0.139 0.000 0.985 600 T CA -0.232 61.820 62.100 -0.081 0.000 0.955 600 T CB 0.513 69.354 68.868 -0.045 0.000 0.930 600 T HN 0.395 nan 8.240 nan 0.000 0.451 601 L N 4.272 125.387 121.223 -0.180 0.000 2.328 601 L HA 0.311 4.657 4.340 0.009 0.000 0.280 601 L C 0.213 177.008 176.870 -0.124 0.000 1.111 601 L CA -0.859 53.841 54.840 -0.234 0.000 0.909 601 L CB 0.244 42.080 42.059 -0.372 0.000 1.277 601 L HN 0.378 nan 8.230 nan 0.000 0.433 602 V N 3.296 123.154 119.914 -0.094 0.000 2.506 602 V HA -0.004 4.122 4.120 0.009 0.000 0.296 602 V C 1.525 177.602 176.094 -0.029 0.000 1.004 602 V CA 1.293 63.562 62.300 -0.051 0.000 1.150 602 V CB 0.081 31.880 31.823 -0.040 0.000 0.911 602 V HN 1.103 nan 8.190 nan 0.000 0.476 603 G N 3.636 112.422 108.800 -0.023 0.000 2.168 603 G HA2 -0.225 3.740 3.960 0.009 0.000 0.263 603 G HA3 -0.225 3.740 3.960 0.009 0.000 0.263 603 G C 0.148 175.050 174.900 0.004 0.000 0.977 603 G CA 0.144 45.239 45.100 -0.007 0.000 0.659 603 G HN 0.815 nan 8.290 nan 0.000 0.533 604 V N 1.029 120.943 119.914 0.001 0.000 2.530 604 V HA 0.640 4.766 4.120 0.009 0.000 0.282 604 V C 0.903 177.001 176.094 0.007 0.000 1.048 604 V CA -0.099 62.215 62.300 0.024 0.000 0.997 604 V CB 1.415 33.259 31.823 0.036 0.000 0.987 604 V HN 1.027 nan 8.190 nan 0.000 0.477 605 A N 4.456 127.289 122.820 0.021 0.000 2.289 605 A HA 0.496 4.821 4.320 0.009 0.000 0.298 605 A C 0.877 178.478 177.584 0.029 0.000 1.208 605 A CA -0.489 51.559 52.037 0.018 0.000 0.845 605 A CB 0.544 19.556 19.000 0.020 0.000 1.125 605 A HN 0.868 nan 8.150 nan 0.000 0.517 606 L N 3.121 124.363 121.223 0.031 0.000 2.064 606 L HA -0.268 4.078 4.340 0.009 0.000 0.216 606 L C 1.932 178.864 176.870 0.103 0.000 1.077 606 L CA 2.757 57.639 54.840 0.068 0.000 0.766 606 L CB -0.955 41.147 42.059 0.071 0.000 0.890 606 L HN 0.933 nan 8.230 nan 0.000 0.435 607 N N -1.696 117.049 118.700 0.075 0.000 2.521 607 N HA -0.103 4.643 4.740 0.009 0.000 0.188 607 N C 1.138 176.693 175.510 0.074 0.000 1.146 607 N CA 0.738 53.836 53.050 0.081 0.000 0.893 607 N CB -0.171 38.349 38.487 0.054 0.000 0.975 607 N HN 0.536 nan 8.380 nan 0.000 0.451 608 S N -0.190 115.548 115.700 0.063 0.000 2.540 608 S HA 0.231 4.707 4.470 0.009 0.000 0.218 608 S C 0.619 175.250 174.600 0.052 0.000 0.977 608 S CA -0.743 57.489 58.200 0.054 0.000 0.918 608 S CB -0.051 63.177 63.200 0.047 0.000 0.806 608 S HN 0.150 nan 8.310 nan 0.000 0.496 609 L N 2.196 123.445 121.223 0.043 0.000 2.418 609 L HA 0.607 4.952 4.340 0.009 0.000 0.265 609 L C 0.359 177.215 176.870 -0.023 0.000 1.143 609 L CA -0.407 54.395 54.840 -0.063 0.000 0.809 609 L CB 1.412 43.292 42.059 -0.298 0.000 1.124 609 L HN 0.287 nan 8.230 nan 0.000 0.456 610 S N 0.353 115.982 115.700 -0.118 0.000 2.540 610 S HA 0.552 5.027 4.470 0.009 0.000 0.275 610 S C 0.470 175.071 174.600 0.002 0.000 1.123 610 S CA -0.090 58.135 58.200 0.042 0.000 0.907 610 S CB 1.873 65.100 63.200 0.046 0.000 1.081 610 S HN 0.693 nan 8.310 nan 0.000 0.476 611 A N 2.889 125.859 122.820 0.251 0.000 2.024 611 A HA -0.066 4.259 4.320 0.009 0.000 0.220 611 A C 1.599 179.259 177.584 0.126 0.000 1.164 611 A CA 1.953 54.157 52.037 0.279 0.000 0.643 611 A CB -0.819 18.377 19.000 0.326 0.000 0.806 611 A HN 0.908 nan 8.150 nan 0.000 0.451 612 D N -0.253 120.200 120.400 0.088 0.000 2.158 612 D HA -0.131 4.514 4.640 0.009 0.000 0.197 612 D C 1.779 178.105 176.300 0.044 0.000 0.995 612 D CA 1.678 55.715 54.000 0.061 0.000 0.846 612 D CB -0.395 40.433 40.800 0.046 0.000 0.941 612 D HN 0.506 nan 8.370 nan 0.000 0.456 613 G N -0.517 108.303 108.800 0.032 0.000 3.126 613 G HA2 0.273 4.239 3.960 0.009 0.000 0.224 613 G HA3 0.273 4.239 3.960 0.009 0.000 0.224 613 G C 0.546 175.503 174.900 0.097 0.000 1.142 613 G CA -0.193 44.948 45.100 0.068 0.000 0.759 613 G HN 0.156 nan 8.290 nan 0.000 0.550 614 I N 1.366 121.951 120.570 0.025 0.000 2.521 614 I HA 0.237 4.412 4.170 0.009 0.000 0.277 614 I C -0.753 175.432 176.117 0.114 0.000 1.054 614 I CA -0.635 60.701 61.300 0.060 0.000 1.117 614 I CB 2.439 40.398 38.000 -0.069 0.000 1.217 614 I HN -0.316 nan 8.210 nan 0.000 0.469 615 V N 6.562 126.492 119.914 0.027 0.000 2.432 615 V HA 0.378 4.504 4.120 0.009 0.000 0.271 615 V C 0.271 176.392 176.094 0.044 0.000 1.046 615 V CA -0.257 61.997 62.300 -0.077 0.000 0.945 615 V CB 1.233 32.765 31.823 -0.485 0.000 0.992 615 V HN 0.396 nan 8.190 nan 0.000 0.471 616 I N 4.812 125.441 120.570 0.098 0.000 2.389 616 I HA 0.764 4.939 4.170 0.009 0.000 0.288 616 I C 0.278 176.450 176.117 0.090 0.000 0.999 616 I CA -0.156 61.222 61.300 0.129 0.000 1.129 616 I CB 1.295 39.400 38.000 0.175 0.000 1.288 616 I HN 0.670 nan 8.210 nan 0.000 0.444 617 A N 0.000 122.876 122.820 0.093 0.000 2.254 617 A HA 0.000 4.326 4.320 0.009 0.000 0.244 617 A CA 0.000 52.111 52.037 0.124 0.000 0.836 617 A CB 0.000 19.033 19.000 0.056 0.000 0.831 617 A HN 0.000 nan 8.150 nan 0.000 0.486